(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide

C16H14N2O2 — CID 124661956

IUPAC(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide
SMILESN#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NC1CC1
InChIInChI=1S/C16H14N2O2/c17-9-13(16(19)18-14-5-6-14)8-11-7-12-3-1-2-4-15(12)20-10-11/h1-4,7-8,14H,5-6,10H2,(H,18,19)/b13-8+
InChIKeySPILCAMTVAAMNP-MDWZMJQESA-N
MW266.30 g/mol
LogP2.19
Rot. Bonds3

About (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide

(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide (PubChem CID 124661956) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide
PubChem CID124661956
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide
SMILESN#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NC1CC1
InChIInChI=1S/C16H14N2O2/c17-9-13(16(19)18-14-5-6-14)8-11-7-12-3-1-2-4-15(12)20-10-11/h1-4,7-8,14H,5-6,10H2,(H,18,19)/b13-8+
InChIKeySPILCAMTVAAMNP-MDWZMJQESA-N
XLogP2.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
propan-2-yl (Z)-3-(2H-chromen-3-yl)-2-cyanoprop-2-enoate
CID 47016477
(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6526280
(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide
CID 9045344
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 787842
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid
CID 57397719
2-[2-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 56809771
(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-cyclopropylprop-2-enamide
CID 6004554
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide?
The IUPAC name of (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide (CID 124661956) is (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide is N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NC1CC1.
What is the InChIKey of (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide?
The InChIKey is SPILCAMTVAAMNP-MDWZMJQESA-N. The full InChI is InChI=1S/C16H14N2O2/c17-9-13(16(19)18-14-5-6-14)8-11-7-12-3-1-2-4-15(12)20-10-11/h1-4,7-8,14H,5-6,10H2,(H,18,19)/b13-8+.
What are the key properties of (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide?
(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide is sourced from PubChem (CID 124661956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).