N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine

C12H13NO — CID 71439719

IUPACN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine
SMILESON=C(C1CC1)C1Cc2ccccc21
InChIInChI=1S/C12H13NO/c14-13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)11/h1-4,8,11,14H,5-7H2
InChIKeyOVBGYTVEUXRMJL-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.57
Rot. Bonds2

About N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine (PubChem CID 71439719) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine
PubChem CID71439719
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine
SMILESON=C(C1CC1)C1Cc2ccccc21
InChIInChI=1S/C12H13NO/c14-13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)11/h1-4,8,11,14H,5-7H2
InChIKeyOVBGYTVEUXRMJL-UHFFFAOYSA-N
XLogP2.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.57
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'}

Analyze N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine
CID 125474318
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
CID 64985525
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397141
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136004
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
CID 64982050
bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
CID 71758321
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine?
The IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine (CID 71439719) is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine?
The canonical SMILES for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine is ON=C(C1CC1)C1Cc2ccccc21.
What is the InChIKey of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine?
The InChIKey is OVBGYTVEUXRMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)11/h1-4,8,11,14H,5-7H2.
What are the key properties of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine?
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine is sourced from PubChem (CID 71439719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).