7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one

C18H21NO4 — CID 4914201

IUPAC7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
SMILESCOc1ccc2c(C)c(CCC(=O)N3CCCC3)c(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-12-14-6-5-13(22-2)11-16(14)23-18(21)15(12)7-8-17(20)19-9-3-4-10-19/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOCBGKZBZBFREON-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.67
Rot. Bonds4

About 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one

7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one (PubChem CID 4914201) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
PubChem CID4914201
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
SMILESCOc1ccc2c(C)c(CCC(=O)N3CCCC3)c(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-12-14-6-5-13(22-2)11-16(14)23-18(21)15(12)7-8-17(20)19-9-3-4-10-19/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOCBGKZBZBFREON-UHFFFAOYSA-N
XLogP2.67
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 134020798
ethyl 1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylate
CID 46689733
3-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 46461280
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 4902462
7-methoxy-4-methyl-3-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]chromen-2-one
CID 38028067
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 40653207
7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
CID 51296291
3-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one;hydrochloride
CID 119593452
3-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 119635712
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 39889964
3-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 33046217
3-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 39138075

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one?
The IUPAC name of 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one (CID 4914201) is 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one?
The canonical SMILES for 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one is COc1ccc2c(C)c(CCC(=O)N3CCCC3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one?
The InChIKey is OCBGKZBZBFREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-14-6-5-13(22-2)11-16(14)23-18(21)15(12)7-8-17(20)19-9-3-4-10-19/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one?
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one is sourced from PubChem (CID 4914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).