N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine

C15H24N2O2 — CID 90478670

IUPACN-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine
SMILESCC1=C(C=NO)[C@H]2[C@@H](C(C)C)CC[C@]1(C)[C@H]2C=NO
InChIInChI=1S/C15H24N2O2/c1-9(2)11-5-6-15(4)10(3)12(7-16-18)14(11)13(15)8-17-19/h7-9,11,13-14,18-19H,5-6H2,1-4H3/t11-,13+,14-,15+/m1/s1
InChIKeyYBUXAJZGFSEWNU-BEAPCOKYSA-N
MW264.37 g/mol
LogP3.54
Rot. Bonds3

About N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine

N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine (PubChem CID 90478670) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine
PubChem CID90478670
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine
SMILESCC1=C(C=NO)[C@H]2[C@@H](C(C)C)CC[C@]1(C)[C@H]2C=NO
InChIInChI=1S/C15H24N2O2/c1-9(2)11-5-6-15(4)10(3)12(7-16-18)14(11)13(15)8-17-19/h7-9,11,13-14,18-19H,5-6H2,1-4H3/t11-,13+,14-,15+/m1/s1
InChIKeyYBUXAJZGFSEWNU-BEAPCOKYSA-N
XLogP3.54
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine?
The IUPAC name of N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine (CID 90478670) is N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine is CC1=C(C=NO)[C@H]2[C@@H](C(C)C)CC[C@]1(C)[C@H]2C=NO.
What is the InChIKey of N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine?
The InChIKey is YBUXAJZGFSEWNU-BEAPCOKYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)11-5-6-15(4)10(3)12(7-16-18)14(11)13(15)8-17-19/h7-9,11,13-14,18-19H,5-6H2,1-4H3/t11-,13+,14-,15+/m1/s1.
What are the key properties of N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine?
N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine has a molecular weight of 264.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,4R,5S,8S)-6-(hydroxyiminomethyl)-1,7-dimethyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methylidene]hydroxylamine is sourced from PubChem (CID 90478670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).