3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one

C19H19NO4 — CID 4914333

IUPAC3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one
SMILESCc1coc2cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c3cc12
InChIInChI=1S/C19H19NO4/c1-11-10-23-16-9-17-14(7-13(11)16)12(2)15(19(22)24-17)8-18(21)20-5-3-4-6-20/h7,9-10H,3-6,8H2,1-2H3
InChIKeyMOLULGYHBQPCMJ-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.32
Rot. Bonds2

About 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one

3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one (PubChem CID 4914333) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one
PubChem CID4914333
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one
SMILESCc1coc2cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c3cc12
InChIInChI=1S/C19H19NO4/c1-11-10-23-16-9-17-14(7-13(11)16)12(2)15(19(22)24-17)8-18(21)20-5-3-4-6-20/h7,9-10H,3-6,8H2,1-2H3
InChIKeyMOLULGYHBQPCMJ-UHFFFAOYSA-N
XLogP3.32
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-oxoethyl]-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 5143313
(1S,2R,9R)-11-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 125429543
(3R)-1-[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]piperidine-3-carboxylic acid
CID 40816082
3,5-dimethyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[3,2-g]chromen-7-one
CID 4968105
1-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoyl]piperidine-2-carboxylic acid
CID 3840295
ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 42654896
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 3751099
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4839811
N-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 40854906
2,3,4,9-tetramethyl-8-(2-oxo-2-piperidin-1-ylethyl)furo[2,3-f]chromen-7-one
CID 4914357
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
CID 4869567
N-[(2R)-butan-2-yl]-3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 907318

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one?
The IUPAC name of 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one (CID 4914333) is 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one is Cc1coc2cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c3cc12.
What is the InChIKey of 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one?
The InChIKey is MOLULGYHBQPCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-10-23-16-9-17-14(7-13(11)16)12(2)15(19(22)24-17)8-18(21)20-5-3-4-6-20/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one?
3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one has a molecular weight of 325.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 4914333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).