1-(benzhydrylideneamino)cyclopropane-1-carbonitrile

C17H14N2 — CID 10955849

IUPAC1-(benzhydrylideneamino)cyclopropane-1-carbonitrile
SMILESN#CC1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C17H14N2/c18-13-17(11-12-17)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyHRIPVXSRVSVPPR-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.58
Rot. Bonds3

About 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile

1-(benzhydrylideneamino)cyclopropane-1-carbonitrile (PubChem CID 10955849) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(benzhydrylideneamino)cyclopropane-1-carbonitrile
PubChem CID10955849
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name1-(benzhydrylideneamino)cyclopropane-1-carbonitrile
SMILESN#CC1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C17H14N2/c18-13-17(11-12-17)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyHRIPVXSRVSVPPR-UHFFFAOYSA-N
XLogP3.58
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile (CID 10955849) is 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile is N#CC1(N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile?
The InChIKey is HRIPVXSRVSVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c18-13-17(11-12-17)19-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2.
What are the key properties of 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile?
1-(benzhydrylideneamino)cyclopropane-1-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)cyclopropane-1-carbonitrile is sourced from PubChem (CID 10955849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).