(4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate

C17H16O4 — CID 26192868

IUPAC(4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCc1cc(=O)oc2cc(OC(=O)C[C@H]3C=CCC3)ccc12
InChIInChI=1S/C17H16O4/c1-11-8-16(18)21-15-10-13(6-7-14(11)15)20-17(19)9-12-4-2-3-5-12/h2,4,6-8,10,12H,3,5,9H2,1H3/t12-/m0/s1
InChIKeyVVBPJPAVBSJGOJ-LBPRGKRZSA-N
MW284.31 g/mol
LogP3.36
Rot. Bonds3

About (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate

(4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 26192868) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID26192868
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCc1cc(=O)oc2cc(OC(=O)C[C@H]3C=CCC3)ccc12
InChIInChI=1S/C17H16O4/c1-11-8-16(18)21-15-10-13(6-7-14(11)15)20-17(19)9-12-4-2-3-5-12/h2,4,6-8,10,12H,3,5,9H2,1H3/t12-/m0/s1
InChIKeyVVBPJPAVBSJGOJ-LBPRGKRZSA-N
XLogP3.36
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate 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

(4-methyl-2-oxochromen-7-yl) 2-cyclopent-2-en-1-ylacetate
CID 16561735
(4-methyl-2-oxochromen-7-yl) 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 9097907
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
(4-methyl-2-oxochromen-7-yl) 2-(4-methylpiperazin-1-yl)acetate
CID 166610984
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
(4-methyl-2-oxochromen-7-yl) (2R)-pyrrolidine-2-carboxylate;hydrochloride
CID 52993282
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
(4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 22830923

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 26192868) is (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate is Cc1cc(=O)oc2cc(OC(=O)C[C@H]3C=CCC3)ccc12.
What is the InChIKey of (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is VVBPJPAVBSJGOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16O4/c1-11-8-16(18)21-15-10-13(6-7-14(11)15)20-17(19)9-12-4-2-3-5-12/h2,4,6-8,10,12H,3,5,9H2,1H3/t12-/m0/s1.
What are the key properties of (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate?
(4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 284.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-7-yl) 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 26192868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).