N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine

C10H15NO — CID 571772

IUPACN-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine
SMILESCC1=CC2C(CC1=NO)C2(C)C
InChIInChI=1S/C10H15NO/c1-6-4-7-8(10(7,2)3)5-9(6)11-12/h4,7-8,12H,5H2,1-3H3
InChIKeyCVDOTKRHZGLHNK-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds

About N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine

N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine (PubChem CID 571772) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine
PubChem CID571772
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine
SMILESCC1=CC2C(CC1=NO)C2(C)C
InChIInChI=1S/C10H15NO/c1-6-4-7-8(10(7,2)3)5-9(6)11-12/h4,7-8,12H,5H2,1-3H3
InChIKeyCVDOTKRHZGLHNK-UHFFFAOYSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine?
The IUPAC name of N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine (CID 571772) is N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine.
What is the SMILES notation for N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine?
The canonical SMILES for N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine is CC1=CC2C(CC1=NO)C2(C)C.
What is the InChIKey of N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine?
The InChIKey is CVDOTKRHZGLHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-4-7-8(10(7,2)3)5-9(6)11-12/h4,7-8,12H,5H2,1-3H3.
What are the key properties of N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine?
N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enylidene)hydroxylamine is sourced from PubChem (CID 571772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).