1-methylcyclopent-2-ene-1-carboxylate

C7H9O2- — CID 23127641

IUPAC1-methylcyclopent-2-ene-1-carboxylate
SMILESCC1(C(=O)[O-])C=CCC1
InChIInChI=1S/C7H10O2/c1-7(6(8)9)4-2-3-5-7/h2,4H,3,5H2,1H3,(H,8,9)/p-1
InChIKeyHGSACGMRDLYHMZ-UHFFFAOYSA-M
MW125.15 g/mol
LogP0.09
Rot. Bonds1

About 1-methylcyclopent-2-ene-1-carboxylate

1-methylcyclopent-2-ene-1-carboxylate (PubChem CID 23127641) has the molecular formula C7H9O2- and a molecular weight of 125.15 g/mol. Its IUPAC name is 1-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Name1-methylcyclopent-2-ene-1-carboxylate
PubChem CID23127641
Molecular FormulaC7H9O2-
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name1-methylcyclopent-2-ene-1-carboxylate
SMILESCC1(C(=O)[O-])C=CCC1
InChIInChI=1S/C7H10O2/c1-7(6(8)9)4-2-3-5-7/h2,4H,3,5H2,1H3,(H,8,9)/p-1
InChIKeyHGSACGMRDLYHMZ-UHFFFAOYSA-M
XLogP0.09
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
CID 155973420
2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol
CID 100939176
calcium bis(4-methylbicyclo[2.2.2]oct-2-ene-1-carboxylate)
CID 72721349
2,2,2-trichloro-N-[[(1S)-1-methylcyclopent-2-en-1-yl]methyl]acetamide
CID 101149803
prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate
CID 155678353
1-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 86703553
5,5-dimethylcyclohexene-1-carboxylate
CID 20569392
2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
CID 129216024
butan-2-one;3,3-dimethylcyclohexene;2,2-dimethylpropane;methane
CID 158843817
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of 1-methylcyclopent-2-ene-1-carboxylate (CID 23127641) is 1-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for 1-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for 1-methylcyclopent-2-ene-1-carboxylate is CC1(C(=O)[O-])C=CCC1.
What is the InChIKey of 1-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is HGSACGMRDLYHMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O2/c1-7(6(8)9)4-2-3-5-7/h2,4H,3,5H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-methylcyclopent-2-ene-1-carboxylate?
1-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 125.15 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 23127641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).