2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile

C9H13ClN2 — CID 131232100

IUPAC2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC/C=C/Cl
InChIInChI=1S/C9H13ClN2/c10-5-2-6-12-9-4-1-3-8(9)7-11/h2,5,8-9,12H,1,3-4,6H2/b5-2+
InChIKeyWVPIDGVSVWNLDN-GORDUTHDSA-N
MW184.67 g/mol
LogP2.02
Rot. Bonds3

About 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile

2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile (PubChem CID 131232100) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
PubChem CID131232100
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC/C=C/Cl
InChIInChI=1S/C9H13ClN2/c10-5-2-6-12-9-4-1-3-8(9)7-11/h2,5,8-9,12H,1,3-4,6H2/b5-2+
InChIKeyWVPIDGVSVWNLDN-GORDUTHDSA-N
XLogP2.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile (CID 131232100) is 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile is N#CC1CCCC1NC/C=C/Cl.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is WVPIDGVSVWNLDN-GORDUTHDSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-5-2-6-12-9-4-1-3-8(9)7-11/h2,5,8-9,12H,1,3-4,6H2/b5-2+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile?
2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 184.67 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131232100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).