methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate

C8H12O2 — CID 134358359

IUPACmethyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1C=C[C@H](C)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(5-6)8(9)10-2/h3-4,6-7H,5H2,1-2H3/t6-,7?/m0/s1
InChIKeyLNGXCWYZCGDIQF-PKPIPKONSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds1

About methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate

methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate (PubChem CID 134358359) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
PubChem CID134358359
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1C=C[C@H](C)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(5-6)8(9)10-2/h3-4,6-7H,5H2,1-2H3/t6-,7?/m0/s1
InChIKeyLNGXCWYZCGDIQF-PKPIPKONSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.37
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

methyl 4,5-dimethylcyclohex-2-ene-1-carboxylate
CID 58517086
2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
CID 163379852
dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
CID 58517083
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
methyl 4-(chloroamino)cyclopent-2-ene-1-carboxylate
CID 89206851
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 70805737
methyl (1R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 86313516
1-(4-methylcyclopent-2-en-1-yl)propan-1-one
CID 59444303
methyl (1R,4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopent-2-ene-1-carboxylate
CID 160681857
methyl 4-methyl-5-phenylcyclohex-2-ene-1-carboxylate
CID 58517085
(6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid
CID 19958313

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate (CID 134358359) is methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate is COC(=O)C1C=C[C@H](C)C1.
What is the InChIKey of methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is LNGXCWYZCGDIQF-PKPIPKONSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-7(5-6)8(9)10-2/h3-4,6-7H,5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate?
methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 134358359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).