3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide

C15H14N2O2 — CID 962460

IUPAC3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide
SMILESCCNC(=O)C(C#N)=CC1=Cc2ccccc2OC1
InChIInChI=1S/C15H14N2O2/c1-2-17-15(18)13(9-16)8-11-7-12-5-3-4-6-14(12)19-10-11/h3-8H,2,10H2,1H3,(H,17,18)
InChIKeyNSAZYQXLCWRHEH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.05
Rot. Bonds3

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

3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide (PubChem CID 962460) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide
PubChem CID962460
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide
SMILESCCNC(=O)C(C#N)=CC1=Cc2ccccc2OC1
InChIInChI=1S/C15H14N2O2/c1-2-17-15(18)13(9-16)8-11-7-12-5-3-4-6-14(12)19-10-11/h3-8H,2,10H2,1H3,(H,17,18)
InChIKeyNSAZYQXLCWRHEH-UHFFFAOYSA-N
XLogP2.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.05
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

(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6526280
(E)-3-(2H-chromen-3-yl)-2-cyano-N-cyclopropylprop-2-enamide
CID 124661956
propan-2-yl (Z)-3-(2H-chromen-3-yl)-2-cyanoprop-2-enoate
CID 47016477
2-cyano-3-(8-methoxy-2H-chromen-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 4861893
methyl 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enoate
CID 4861892
(E)-2-cyano-3-(7-methoxy-2H-chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 24604430
(Z)-2-cyano-3-(4-cyanophenyl)-N-ethylprop-2-enamide
CID 70588049
3-(2H-chromen-3-yl)prop-2-enoic acid
CID 53405773
3-(benzylamino)-2-cyano-N-ethylprop-2-enamide
CID 71410822
(Z)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-ethylprop-2-enamide
CID 34314256
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
3-(2H-chromen-3-yl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135464411

Frequently Asked Questions

What is the IUPAC name of 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide?
The IUPAC name of 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide (CID 962460) is 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide?
The canonical SMILES for 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide is CCNC(=O)C(C#N)=CC1=Cc2ccccc2OC1.
What is the InChIKey of 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide?
The InChIKey is NSAZYQXLCWRHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-17-15(18)13(9-16)8-11-7-12-5-3-4-6-14(12)19-10-11/h3-8H,2,10H2,1H3,(H,17,18).
What are the key properties of 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide?
3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide has a molecular weight of 254.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide is sourced from PubChem (CID 962460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).