(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine

C15H18N2O2 — CID 125034009

IUPAC(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine
SMILESCC(C)=C1[C@@H]2/C(=N\O)[C@H]3C[C@H]4/C(=N\O)[C@@H]1[C@@H]1[C@@H]2[C@H]3[C@@H]14
InChIInChI=1S/C15H18N2O2/c1-4(2)7-12-10-8-5(14(12)16-18)3-6-9(8)11(10)13(7)15(6)17-19/h5-6,8-13,18-19H,3H2,1-2H3/b16-14-,17-15+/t5-,6+,8+,9-,10-,11-,12-,13-/m0/s1
InChIKeyGRWBLDDRWOQNMD-JNPAOSDKSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds

About (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine

(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine (PubChem CID 125034009) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine
PubChem CID125034009
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine
SMILESCC(C)=C1[C@@H]2/C(=N\O)[C@H]3C[C@H]4/C(=N\O)[C@@H]1[C@@H]1[C@@H]2[C@H]3[C@@H]14
InChIInChI=1S/C15H18N2O2/c1-4(2)7-12-10-8-5(14(12)16-18)3-6-9(8)11(10)13(7)15(6)17-19/h5-6,8-13,18-19H,3H2,1-2H3/b16-14-,17-15+/t5-,6+,8+,9-,10-,11-,12-,13-/m0/s1
InChIKeyGRWBLDDRWOQNMD-JNPAOSDKSA-N
XLogP2.37
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine with MolForge

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Related Compounds

(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
CID 10081648
N-[(1S,3R,5R,7R,8R,9R,10S,11S)-6,6-dinitro-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine
CID 125033775
7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
CID 130144952
14-propan-2-ylidene-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-2(7)-ene-10,12-dione
CID 13094676
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 125036274
N-(4-methyl-2-adamantylidene)hydroxylamine
CID 142199643
5-propan-2-ylidenetricyclo[4.1.0.02,4]heptane-3-carboxylate
CID 3338752
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
CID 57216990
N-[5-(2,2-dimethylpropyl)-2-adamantylidene]hydroxylamine
CID 134204519
(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
CID 102481953
(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
CID 98477758

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine (CID 125034009) is (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine is CC(C)=C1[C@@H]2/C(=N\O)[C@H]3C[C@H]4/C(=N\O)[C@@H]1[C@@H]1[C@@H]2[C@H]3[C@@H]14.
What is the InChIKey of (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine?
The InChIKey is GRWBLDDRWOQNMD-JNPAOSDKSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4(2)7-12-10-8-5(14(12)16-18)3-6-9(8)11(10)13(7)15(6)17-19/h5-6,8-13,18-19H,3H2,1-2H3/b16-14-,17-15+/t5-,6+,8+,9-,10-,11-,12-,13-/m0/s1.
What are the key properties of (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine?
(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine has a molecular weight of 258.32 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine is sourced from PubChem (CID 125034009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).