(E)-3-(furan-2-yl)prop-2-enenitrile

C7H5NO — CID 5325137

IUPAC(E)-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C=C/c1ccco1
InChIInChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
InChIKeyZHKAQNFBQHPERX-HNQUOIGGSA-N
MW119.12 g/mol
LogP1.82
Rot. Bonds1

About (E)-3-(furan-2-yl)prop-2-enenitrile

(E)-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 5325137) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)prop-2-enenitrile
PubChem CID5325137
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name(E)-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C=C/c1ccco1
InChIInChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
InChIKeyZHKAQNFBQHPERX-HNQUOIGGSA-N
XLogP1.82
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(furan-2-yl)prop-2-enenitrile (CID 5325137) is (E)-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(furan-2-yl)prop-2-enenitrile is N#C/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is ZHKAQNFBQHPERX-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+.
What are the key properties of (E)-3-(furan-2-yl)prop-2-enenitrile?
(E)-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 119.12 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 5325137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).