1-amino-2-phenylcyclopropane-1-carbonitrile

C10H10N2 — CID 70611404

IUPAC1-amino-2-phenylcyclopropane-1-carbonitrile
SMILESN#CC1(N)CC1c1ccccc1
InChIInChI=1S/C10H10N2/c11-7-10(12)6-9(10)8-4-2-1-3-5-8/h1-5,9H,6,12H2
InChIKeyAUFJAXJOJXIOLJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.39
Rot. Bonds1

About 1-amino-2-phenylcyclopropane-1-carbonitrile

1-amino-2-phenylcyclopropane-1-carbonitrile (PubChem CID 70611404) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-amino-2-phenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-phenylcyclopropane-1-carbonitrile
PubChem CID70611404
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-amino-2-phenylcyclopropane-1-carbonitrile
SMILESN#CC1(N)CC1c1ccccc1
InChIInChI=1S/C10H10N2/c11-7-10(12)6-9(10)8-4-2-1-3-5-8/h1-5,9H,6,12H2
InChIKeyAUFJAXJOJXIOLJ-UHFFFAOYSA-N
XLogP1.39
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenylcyclopropane-1-carbonitrile?
The IUPAC name of 1-amino-2-phenylcyclopropane-1-carbonitrile (CID 70611404) is 1-amino-2-phenylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-phenylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-amino-2-phenylcyclopropane-1-carbonitrile is N#CC1(N)CC1c1ccccc1.
What is the InChIKey of 1-amino-2-phenylcyclopropane-1-carbonitrile?
The InChIKey is AUFJAXJOJXIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-7-10(12)6-9(10)8-4-2-1-3-5-8/h1-5,9H,6,12H2.
What are the key properties of 1-amino-2-phenylcyclopropane-1-carbonitrile?
1-amino-2-phenylcyclopropane-1-carbonitrile has a molecular weight of 158.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 70611404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).