methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate

C11H16O3 — CID 10241777

IUPACmethyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate
SMILESCOC(=O)/C=C\CCC1CCCC1=O
InChIInChI=1S/C11H16O3/c1-14-11(13)8-3-2-5-9-6-4-7-10(9)12/h3,8-9H,2,4-7H2,1H3/b8-3-
InChIKeyDNUHMTACDXUTJD-BAQGIRSFSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds4

About methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate

methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate (PubChem CID 10241777) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate
PubChem CID10241777
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate
SMILESCOC(=O)/C=C\CCC1CCCC1=O
InChIInChI=1S/C11H16O3/c1-14-11(13)8-3-2-5-9-6-4-7-10(9)12/h3,8-9H,2,4-7H2,1H3/b8-3-
InChIKeyDNUHMTACDXUTJD-BAQGIRSFSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate 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

MKN-003a
CID 11075054
Decenoic acid, 5-oxo-, methyl ester
CID 6441354
(2S)-2-(6-methyl-7-oxooctyl)-2H-furan-5-one
CID 10799173
(E)-Methyl 4-cyclohexyl-4-oxobut-2-enoate
CID 12279310
ethyl (E)-4-cyclohexyl-4-oxobut-2-enoate
CID 24974133
propan-2-yl (E)-4-cyclohexyl-4-oxobut-2-enoate
CID 155567392
(2S)-2-[(6R)-6-methyl-7-oxooctyl]-2H-furan-5-one
CID 25053250
(2S)-2-[(6S)-6-methyl-7-oxooctyl]-2H-furan-5-one
CID 92466464
methyl (E,6R)-2-methyl-6-[(1R)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enoate
CID 163013081
methyl (E,6R)-2-methyl-6-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enoate
CID 163013082
methyl (2E)-3-(3-oxocyclopentyl)prop-2-enoate
CID 12809126
ethyl (E)-5,5-difluoro-5-(2-oxocyclopentyl)pent-2-enoate
CID 168301372

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate?
The IUPAC name of methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate (CID 10241777) is methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate.
What is the SMILES notation for methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate?
The canonical SMILES for methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate is COC(=O)/C=C\CCC1CCCC1=O.
What is the InChIKey of methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate?
The InChIKey is DNUHMTACDXUTJD-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H16O3/c1-14-11(13)8-3-2-5-9-6-4-7-10(9)12/h3,8-9H,2,4-7H2,1H3/b8-3-.
What are the key properties of methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate?
methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate is sourced from PubChem (CID 10241777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).