(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile

C17H13NO3 — CID 9335898

IUPAC(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile
SMILESC=CCOc1ccccc1/C=C(\C#N)C(=O)c1ccco1
InChIInChI=1S/C17H13NO3/c1-2-9-20-15-7-4-3-6-13(15)11-14(12-18)17(19)16-8-5-10-21-16/h2-8,10-11H,1,9H2/b14-11+
InChIKeyURNDLCSGBHKNBM-SDNWHVSQSA-N
MW279.30 g/mol
LogP3.63
Rot. Bonds6

About (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile

(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile (PubChem CID 9335898) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile
PubChem CID9335898
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile
SMILESC=CCOc1ccccc1/C=C(\C#N)C(=O)c1ccco1
InChIInChI=1S/C17H13NO3/c1-2-9-20-15-7-4-3-6-13(15)11-14(12-18)17(19)16-8-5-10-21-16/h2-8,10-11H,1,9H2/b14-11+
InChIKeyURNDLCSGBHKNBM-SDNWHVSQSA-N
XLogP3.63
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 3282838
(E)-3-[4-(cyanomethoxy)phenyl]-2-(furan-2-carbonyl)prop-2-enenitrile
CID 9336152
(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 27103075
2-cyano-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-prop-2-enoxyphenyl)prop-2-enamide
CID 3879966
(E)-2-cyano-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-prop-2-enoxyphenyl)prop-2-enamide
CID 2062990
(E)-3-[2-[4-[2-[(E)-2-carboxy-2-cyanoethenyl]phenoxy]butoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 102013525
(E)-3-(3,4-dimethoxyphenyl)-2-(furan-2-carbonyl)prop-2-enenitrile
CID 9335407
2-benzoyl-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 171156894
(E)-2-(furan-2-carbonyl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 9335436
(E)-2-(furan-2-carbonyl)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 9335956
(E)-2-(furan-2-carbonyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile
CID 9335552
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799

Frequently Asked Questions

What is the IUPAC name of (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile (CID 9335898) is (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile is C=CCOc1ccccc1/C=C(\C#N)C(=O)c1ccco1.
What is the InChIKey of (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile?
The InChIKey is URNDLCSGBHKNBM-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H13NO3/c1-2-9-20-15-7-4-3-6-13(15)11-14(12-18)17(19)16-8-5-10-21-16/h2-8,10-11H,1,9H2/b14-11+.
What are the key properties of (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile?
(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile has a molecular weight of 279.30 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 9335898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).