methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate

C9H14O2 — CID 565539

IUPACmethyl 2-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C)C(C(=O)OC)C1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h7-8H,1,4-5H2,2-3H3
InChIKeyLNAJSHLKFUNCTC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds1

About methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate

methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate (PubChem CID 565539) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-methylidenecyclopentane-1-carboxylate
PubChem CID565539
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C)C(C(=O)OC)C1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h7-8H,1,4-5H2,2-3H3
InChIKeyLNAJSHLKFUNCTC-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-4-methylidenecyclopentane-1-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

cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154
trans-methyl (1S,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 124527040
cis-methyl (1R,2S)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 12561750
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
2-methoxy-1,3-dimethyl-5-methylidenecyclohexane
CID 123330064
1-(2-acetyl-4-methylidenecyclopentyl)ethanone
CID 13218158
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
CID 118988969
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl (2S,3R)-2-methyl-5-oxopyrrolidine-3-carboxylate
CID 124705892

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate (CID 565539) is methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate is C=C1CC(C)C(C(=O)OC)C1.
What is the InChIKey of methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate?
The InChIKey is LNAJSHLKFUNCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h7-8H,1,4-5H2,2-3H3.
What are the key properties of methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate?
methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 565539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).