bicyclo[3.1.0]hex-4-en-2-imine

C6H7N — CID 163938987

IUPACbicyclo[3.1.0]hex-4-en-2-imine
SMILES[H]/N=C1\CC=C2CC21
InChIInChI=1S/C6H7N/c7-6-2-1-4-3-5(4)6/h1,5,7H,2-3H2/b7-6+
InChIKeyRPHWFTMHQYPZJW-VOTSOKGWSA-N
MW93.13 g/mol
LogP1.36
Rot. Bonds

About bicyclo[3.1.0]hex-4-en-2-imine

bicyclo[3.1.0]hex-4-en-2-imine (PubChem CID 163938987) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is bicyclo[3.1.0]hex-4-en-2-imine.

Molecular Properties

Compound Namebicyclo[3.1.0]hex-4-en-2-imine
PubChem CID163938987
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Namebicyclo[3.1.0]hex-4-en-2-imine
SMILES[H]/N=C1\CC=C2CC21
InChIInChI=1S/C6H7N/c7-6-2-1-4-3-5(4)6/h1,5,7H,2-3H2/b7-6+
InChIKeyRPHWFTMHQYPZJW-VOTSOKGWSA-N
XLogP1.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4a,5,8,8a-tetrahydro-3H-quinolin-4-imine
CID 91111457
2-(3,4-difluorophenyl)cyclopropan-1-imine
CID 123926157
2-ethenylcyclopropan-1-imine
CID 152749195
(2-iminocyclopropyl)methanamine
CID 160659278
4-imino-3,5-dihydro-2H-pyridin-2-ol
CID 123794721
3-imino-4-methylcyclopentan-1-ol
CID 145156750
2,3-diethylcyclobutan-1-imine
CID 163689155
3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine
CID 56986971
3,5-dimethylcyclohex-2-en-1-imine
CID 12562472
3-imino-3a,4,7,7a-tetrahydroinden-1-one
CID 134287895
2-(cyclopropen-1-yl)aziridine
CID 146806173
4,5-dimethylcyclohexane-1,2-diimine
CID 123662086

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hex-4-en-2-imine?
The IUPAC name of bicyclo[3.1.0]hex-4-en-2-imine (CID 163938987) is bicyclo[3.1.0]hex-4-en-2-imine.
What is the SMILES notation for bicyclo[3.1.0]hex-4-en-2-imine?
The canonical SMILES for bicyclo[3.1.0]hex-4-en-2-imine is [H]/N=C1\CC=C2CC21.
What is the InChIKey of bicyclo[3.1.0]hex-4-en-2-imine?
The InChIKey is RPHWFTMHQYPZJW-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H7N/c7-6-2-1-4-3-5(4)6/h1,5,7H,2-3H2/b7-6+.
What are the key properties of bicyclo[3.1.0]hex-4-en-2-imine?
bicyclo[3.1.0]hex-4-en-2-imine has a molecular weight of 93.13 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hex-4-en-2-imine is sourced from PubChem (CID 163938987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).