(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

C18H14N2O3 — CID 6526280

IUPAC(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCc1ccco1
InChIInChI=1S/C18H14N2O3/c19-10-15(18(21)20-11-16-5-3-7-22-16)9-13-8-14-4-1-2-6-17(14)23-12-13/h1-9H,11-12H2,(H,20,21)/b15-9+
InChIKeyODDBKIMVLPVUIJ-OQLLNIDSSA-N
MW306.32 g/mol
LogP2.82
Rot. Bonds4

About (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 6526280) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID6526280
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCc1ccco1
InChIInChI=1S/C18H14N2O3/c19-10-15(18(21)20-11-16-5-3-7-22-16)9-13-8-14-4-1-2-6-17(14)23-12-13/h1-9H,11-12H2,(H,20,21)/b15-9+
InChIKeyODDBKIMVLPVUIJ-OQLLNIDSSA-N
XLogP2.82
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide
CID 962460
(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide
CID 124661956
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
(Z)-2-cyano-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 60528555
2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4963256
propan-2-yl (Z)-3-(2H-chromen-3-yl)-2-cyanoprop-2-enoate
CID 47016477
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 9353188
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863394
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide
CID 146025232
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (CID 6526280) is (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCc1ccco1.
What is the InChIKey of (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is ODDBKIMVLPVUIJ-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H14N2O3/c19-10-15(18(21)20-11-16-5-3-7-22-16)9-13-8-14-4-1-2-6-17(14)23-12-13/h1-9H,11-12H2,(H,20,21)/b15-9+.
What are the key properties of (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 306.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 6526280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).