2-(furan-2-yl)pentanenitrile

C9H11NO — CID 165359033

IUPAC2-(furan-2-yl)pentanenitrile
SMILESCCCC(C#N)c1ccco1
InChIInChI=1S/C9H11NO/c1-2-4-8(7-10)9-5-3-6-11-9/h3,5-6,8H,2,4H2,1H3
InChIKeyWBSCJEWHBWCNGH-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.69
Rot. Bonds3

About 2-(furan-2-yl)pentanenitrile

2-(furan-2-yl)pentanenitrile (PubChem CID 165359033) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(furan-2-yl)pentanenitrile.

Molecular Properties

Compound Name2-(furan-2-yl)pentanenitrile
PubChem CID165359033
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(furan-2-yl)pentanenitrile
SMILESCCCC(C#N)c1ccco1
InChIInChI=1S/C9H11NO/c1-2-4-8(7-10)9-5-3-6-11-9/h3,5-6,8H,2,4H2,1H3
InChIKeyWBSCJEWHBWCNGH-UHFFFAOYSA-N
XLogP2.69
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide
CID 112515481
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
2-(furan-2-yl)-2-sulfanylacetonitrile
CID 13409144
2-(4-methylphenyl)pentanenitrile
CID 82074843
(E)-4-(furan-2-yl)non-2-enenitrile
CID 10375618
2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
CID 55263890
1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685
2-(aminomethyl)-1-(furan-2-yl)pentan-1-ol
CID 79412972
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
2-nonan-2-ylfuran
CID 160791396
1-(furan-2-yl)decan-1-ol
CID 11085452

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)pentanenitrile?
The IUPAC name of 2-(furan-2-yl)pentanenitrile (CID 165359033) is 2-(furan-2-yl)pentanenitrile.
What is the SMILES notation for 2-(furan-2-yl)pentanenitrile?
The canonical SMILES for 2-(furan-2-yl)pentanenitrile is CCCC(C#N)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)pentanenitrile?
The InChIKey is WBSCJEWHBWCNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8(7-10)9-5-3-6-11-9/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 2-(furan-2-yl)pentanenitrile?
2-(furan-2-yl)pentanenitrile has a molecular weight of 149.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)pentanenitrile is sourced from PubChem (CID 165359033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).