3-(3-cyclopentylazetidin-1-yl)propanenitrile

C11H18N2 — CID 130744042

IUPAC3-(3-cyclopentylazetidin-1-yl)propanenitrile
SMILESN#CCCN1CC(C2CCCC2)C1
InChIInChI=1S/C11H18N2/c12-6-3-7-13-8-11(9-13)10-4-1-2-5-10/h10-11H,1-5,7-9H2
InChIKeyKUSVYTOACLNOKD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.02
Rot. Bonds3

About 3-(3-cyclopentylazetidin-1-yl)propanenitrile

3-(3-cyclopentylazetidin-1-yl)propanenitrile (PubChem CID 130744042) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(3-cyclopentylazetidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-cyclopentylazetidin-1-yl)propanenitrile
PubChem CID130744042
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(3-cyclopentylazetidin-1-yl)propanenitrile
SMILESN#CCCN1CC(C2CCCC2)C1
InChIInChI=1S/C11H18N2/c12-6-3-7-13-8-11(9-13)10-4-1-2-5-10/h10-11H,1-5,7-9H2
InChIKeyKUSVYTOACLNOKD-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile
CID 131025871
2-[3-(cyanomethyl)-5-cyclohexyl-1,3-diazinan-1-yl]acetonitrile
CID 139332649
3-[1-(1-methyltetrazol-5-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]propanenitrile
CID 71892465
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)butanenitrile
CID 102682185
2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
3-(3-methylsulfonylpiperidin-1-yl)propanenitrile
CID 130617291
3-[(3R)-3-ethynylpyrrolidin-1-yl]propanenitrile
CID 154661669
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylazetidin-1-yl)propanenitrile?
The IUPAC name of 3-(3-cyclopentylazetidin-1-yl)propanenitrile (CID 130744042) is 3-(3-cyclopentylazetidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-cyclopentylazetidin-1-yl)propanenitrile?
The canonical SMILES for 3-(3-cyclopentylazetidin-1-yl)propanenitrile is N#CCCN1CC(C2CCCC2)C1.
What is the InChIKey of 3-(3-cyclopentylazetidin-1-yl)propanenitrile?
The InChIKey is KUSVYTOACLNOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-6-3-7-13-8-11(9-13)10-4-1-2-5-10/h10-11H,1-5,7-9H2.
What are the key properties of 3-(3-cyclopentylazetidin-1-yl)propanenitrile?
3-(3-cyclopentylazetidin-1-yl)propanenitrile has a molecular weight of 178.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylazetidin-1-yl)propanenitrile is sourced from PubChem (CID 130744042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).