(NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine

C11H12BrNO — CID 98117316

IUPAC(NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
SMILESO/N=C1/[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@](Br)([C@@H]42)[C@@H]1[C@@H]35
InChIInChI=1S/C11H12BrNO/c12-11-2-5-3-1-4-6(5)9(11)10(13-14)7(4)8(3)11/h3-9,14H,1-2H2/b13-10-/t3-,4+,5+,6+,7+,8+,9-,11+/m1/s1
InChIKeyBJSOAUZECWKNAA-QTKMZTOPSA-N
MW254.13 g/mol
LogP2.11
Rot. Bonds

About (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine

(NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine (PubChem CID 98117316) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
PubChem CID98117316
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
SMILESO/N=C1/[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@](Br)([C@@H]42)[C@@H]1[C@@H]35
InChIInChI=1S/C11H12BrNO/c12-11-2-5-3-1-4-6(5)9(11)10(13-14)7(4)8(3)11/h3-9,14H,1-2H2/b13-10-/t3-,4+,5+,6+,7+,8+,9-,11+/m1/s1
InChIKeyBJSOAUZECWKNAA-QTKMZTOPSA-N
XLogP2.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine (CID 98117316) is (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine is O/N=C1/[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@](Br)([C@@H]42)[C@@H]1[C@@H]35.
What is the InChIKey of (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
The InChIKey is BJSOAUZECWKNAA-QTKMZTOPSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-11-2-5-3-1-4-6(5)9(11)10(13-14)7(4)8(3)11/h3-9,14H,1-2H2/b13-10-/t3-,4+,5+,6+,7+,8+,9-,11+/m1/s1.
What are the key properties of (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
(NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine has a molecular weight of 254.13 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R,2S,3S,5R,6S,8S,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine is sourced from PubChem (CID 98117316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).