N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine

C13H13N — CID 101088873

IUPACN-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine
SMILESc1ccc(N=c2c3c2CCCC3)cc1
InChIInChI=1S/C13H13N/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)13/h1-3,6-7H,4-5,8-9H2
InChIKeyUARQGKPSDFHEPH-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.67
Rot. Bonds1

About N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine

N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine (PubChem CID 101088873) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine.

Molecular Properties

Compound NameN-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine
PubChem CID101088873
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC NameN-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine
SMILESc1ccc(N=c2c3c2CCCC3)cc1
InChIInChI=1S/C13H13N/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)13/h1-3,6-7H,4-5,8-9H2
InChIKeyUARQGKPSDFHEPH-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(1-Methyl-3-phenyl-2-propenylidene)aniline
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1H-carbazole
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N-prop-1-en-1-ylideneaniline
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N-phenylbenzimidoyl fluoride
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3-Imino-6-phenylimino-cyclohexa-1,4-diene
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Frequently Asked Questions

What is the IUPAC name of N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine?
The IUPAC name of N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine (CID 101088873) is N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine.
What is the SMILES notation for N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine?
The canonical SMILES for N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine is c1ccc(N=c2c3c2CCCC3)cc1.
What is the InChIKey of N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine?
The InChIKey is UARQGKPSDFHEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)13/h1-3,6-7H,4-5,8-9H2.
What are the key properties of N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine?
N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine has a molecular weight of 183.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbicyclo[4.1.0]hept-1(6)-en-7-imine is sourced from PubChem (CID 101088873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).