methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate

C15H16O4 — CID 58407044

IUPACmethyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)CC1(CCCC1)O2
InChIInChI=1S/C15H16O4/c1-18-14(17)10-4-5-13-11(8-10)12(16)9-15(19-13)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyUVGVUYJLYXXZEF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.75
Rot. Bonds1

About methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate

methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate (PubChem CID 58407044) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
PubChem CID58407044
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)CC1(CCCC1)O2
InChIInChI=1S/C15H16O4/c1-18-14(17)10-4-5-13-11(8-10)12(16)9-15(19-13)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyUVGVUYJLYXXZEF-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-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

6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 91264802
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate
CID 69072950
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427224
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
methyl 4-hydroxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
CID 142688065

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate?
The IUPAC name of methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate (CID 58407044) is methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate.
What is the SMILES notation for methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate?
The canonical SMILES for methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate is COC(=O)c1ccc2c(c1)C(=O)CC1(CCCC1)O2.
What is the InChIKey of methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate?
The InChIKey is UVGVUYJLYXXZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-14(17)10-4-5-13-11(8-10)12(16)9-15(19-13)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate?
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate is sourced from PubChem (CID 58407044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).