(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine

C10H15NO — CID 155929148

IUPAC(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine
SMILESCC1=C/C(=N/O)[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C10H15NO/c1-6-4-7-9(10(7,2)3)8(5-6)11-12/h5,7,9,12H,4H2,1-3H3/b11-8-/t7-,9-/m0/s1
InChIKeyXXUMWJGLWLLRLD-KMHNNXIKSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds

About (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine

(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine (PubChem CID 155929148) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine
PubChem CID155929148
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine
SMILESCC1=C/C(=N/O)[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C10H15NO/c1-6-4-7-9(10(7,2)3)8(5-6)11-12/h5,7,9,12H,4H2,1-3H3/b11-8-/t7-,9-/m0/s1
InChIKeyXXUMWJGLWLLRLD-KMHNNXIKSA-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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Related Compounds

(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
CID 6508017
(NE)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine
CID 9604670
(NE)-N-(3,5,5-trimethyl-1-cyclohex-2-enylidene)hydroxylamine
CID 226065
2-Caren-4-one oxime
CID 571772
(1Z)-3,5,5-trimethyl-2-cyclohexen-1-one oxime
CID 5354652
Verbenone oxime
CID 15214849
Menthenonoxim
CID 85857790
Carenone oxime
CID 129800998
Menth-4-en-3-one oxime
CID 75089472
(e)-(+/-)-2-Methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
CID 129658281
(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime
CID 129819629
(e)-3-Caren-5-one oxime
CID 162639395

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine (CID 155929148) is (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine is CC1=C/C(=N/O)[C@@H]2[C@H](C1)C2(C)C.
What is the InChIKey of (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine?
The InChIKey is XXUMWJGLWLLRLD-KMHNNXIKSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-4-7-9(10(7,2)3)8(5-6)11-12/h5,7,9,12H,4H2,1-3H3/b11-8-/t7-,9-/m0/s1.
What are the key properties of (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine?
(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-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 (NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine is sourced from PubChem (CID 155929148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).