1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile

C11H12N2 — CID 167219039

IUPAC1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCc1ccc(C2(C#N)CC2)nc1
InChIInChI=1S/C11H12N2/c1-2-9-3-4-10(13-7-9)11(8-12)5-6-11/h3-4,7H,2,5-6H2,1H3
InChIKeySPMCFPGMQLXDKP-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.20
Rot. Bonds2

About 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile

1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 167219039) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID167219039
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCc1ccc(C2(C#N)CC2)nc1
InChIInChI=1S/C11H12N2/c1-2-9-3-4-10(13-7-9)11(8-12)5-6-11/h3-4,7H,2,5-6H2,1H3
InChIKeySPMCFPGMQLXDKP-UHFFFAOYSA-N
XLogP2.20
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile (CID 167219039) is 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile is CCc1ccc(C2(C#N)CC2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is SPMCFPGMQLXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-9-3-4-10(13-7-9)11(8-12)5-6-11/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile?
1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 167219039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).