(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide

C16H17NO3 — CID 108805012

IUPAC(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc2occ(/C=C/C(=O)NC(C)C)c(=O)c2c1
InChIInChI=1S/C16H17NO3/c1-10(2)17-15(18)7-5-12-9-20-14-6-4-11(3)8-13(14)16(12)19/h4-10H,1-3H3,(H,17,18)/b7-5+
InChIKeySQLOMKMISLKSHM-FNORWQNLSA-N
MW271.32 g/mol
LogP2.64
Rot. Bonds3

About (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide

(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 108805012) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
PubChem CID108805012
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc2occ(/C=C/C(=O)NC(C)C)c(=O)c2c1
InChIInChI=1S/C16H17NO3/c1-10(2)17-15(18)7-5-12-9-20-14-6-4-11(3)8-13(14)16(12)19/h4-10H,1-3H3,(H,17,18)/b7-5+
InChIKeySQLOMKMISLKSHM-FNORWQNLSA-N
XLogP2.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]butanoic acid
CID 108793027
(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792993
2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]acetic acid
CID 108792937
2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]pentanedioic acid
CID 108793024
2-methyl-2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]butanoic acid
CID 108804969
(E)-N-(2-butan-2-ylphenyl)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108804948
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 108804960
3-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]benzoic acid
CID 108792883
(E)-N-(3-chloro-4-methylphenyl)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792892
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108792881
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108747679
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 108805085

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide (CID 108805012) is (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide is Cc1ccc2occ(/C=C/C(=O)NC(C)C)c(=O)c2c1.
What is the InChIKey of (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is SQLOMKMISLKSHM-FNORWQNLSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)17-15(18)7-5-12-9-20-14-6-4-11(3)8-13(14)16(12)19/h4-10H,1-3H3,(H,17,18)/b7-5+.
What are the key properties of (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide?
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108805012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).