methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate

C15H17NO4 — CID 168692790

IUPACmethyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CCOc3ccccc32)C1
InChIInChI=1S/C15H17NO4/c1-19-15(18)10-8-14(17)16(9-10)12-6-7-20-13-5-3-2-4-11(12)13/h2-5,10,12H,6-9H2,1H3
InChIKeyRPLGKSHJTQNHER-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.53
Rot. Bonds2

About methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168692790) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168692790
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CCOc3ccccc32)C1
InChIInChI=1S/C15H17NO4/c1-19-15(18)10-8-14(17)16(9-10)12-6-7-20-13-5-3-2-4-11(12)13/h2-5,10,12H,6-9H2,1H3
InChIKeyRPLGKSHJTQNHER-UHFFFAOYSA-N
XLogP1.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate 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

S-[[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666116
[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680441
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-3-carboxylate
CID 115880145
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
1-tert-butyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757191
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
(3S)-1-(2-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 41105707
5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110741036
methyl (6aS,9S)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazepine-9-carboxylate
CID 131740729
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18193053

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate (CID 168692790) is methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C2CCOc3ccccc32)C1.
What is the InChIKey of methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RPLGKSHJTQNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-15(18)10-8-14(17)16(9-10)12-6-7-20-13-5-3-2-4-11(12)13/h2-5,10,12H,6-9H2,1H3.
What are the key properties of methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168692790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).