3-(furan-2-yl)pent-2-enenitrile

C9H9NO — CID 71383305

IUPAC3-(furan-2-yl)pent-2-enenitrile
SMILESCCC(=CC#N)c1ccco1
InChIInChI=1S/C9H9NO/c1-2-8(5-6-10)9-4-3-7-11-9/h3-5,7H,2H2,1H3
InChIKeySVLBDKHCXZPQOO-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.60
Rot. Bonds2

About 3-(furan-2-yl)pent-2-enenitrile

3-(furan-2-yl)pent-2-enenitrile (PubChem CID 71383305) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-(furan-2-yl)pent-2-enenitrile.

Molecular Properties

Compound Name3-(furan-2-yl)pent-2-enenitrile
PubChem CID71383305
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-(furan-2-yl)pent-2-enenitrile
SMILESCCC(=CC#N)c1ccco1
InChIInChI=1S/C9H9NO/c1-2-8(5-6-10)9-4-3-7-11-9/h3-5,7H,2H2,1H3
InChIKeySVLBDKHCXZPQOO-UHFFFAOYSA-N
XLogP2.60
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-3-(furan-2-yl)pent-2-enenitrile
CID 159560899
3-amino-3-(furan-2-yl)prop-2-enenitrile
CID 69283548
(Z)-3-(furan-2-yl)pent-2-enoic acid
CID 62632161
(Z)-3-(2-fluorophenyl)pent-2-enenitrile
CID 112679693
2-[(E)-2-methylhept-3-en-4-yl]furan
CID 146324229
(Z)-2-(furan-2-yl)-3-hydroxyprop-2-enenitrile
CID 119089971
(Z)-2-butyl-3-(furan-2-yl)hept-2-enenitrile
CID 164675503
ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
CID 2942084
2-[(E)-1-chloroprop-1-enyl]furan
CID 170605164
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
N-[4-[(E)-2-cyano-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 9335339

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)pent-2-enenitrile?
The IUPAC name of 3-(furan-2-yl)pent-2-enenitrile (CID 71383305) is 3-(furan-2-yl)pent-2-enenitrile.
What is the SMILES notation for 3-(furan-2-yl)pent-2-enenitrile?
The canonical SMILES for 3-(furan-2-yl)pent-2-enenitrile is CCC(=CC#N)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)pent-2-enenitrile?
The InChIKey is SVLBDKHCXZPQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-8(5-6-10)9-4-3-7-11-9/h3-5,7H,2H2,1H3.
What are the key properties of 3-(furan-2-yl)pent-2-enenitrile?
3-(furan-2-yl)pent-2-enenitrile has a molecular weight of 147.18 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)pent-2-enenitrile is sourced from PubChem (CID 71383305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).