methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate

C9H13NO3 — CID 130942720

IUPACmethyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC[C@]1(C(N)=O)C(=O)OC
InChIInChI=1S/C9H13NO3/c1-6-4-3-5-9(6,7(10)11)8(12)13-2/h1,3-5H2,2H3,(H2,10,11)/t9-/m0/s1
InChIKeyXIDZOSHRHBFUBE-VIFPVBQESA-N
MW183.21 g/mol
LogP0.37
Rot. Bonds2

About methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate

methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate (PubChem CID 130942720) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
PubChem CID130942720
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC[C@]1(C(N)=O)C(=O)OC
InChIInChI=1S/C9H13NO3/c1-6-4-3-5-9(6,7(10)11)8(12)13-2/h1,3-5H2,2H3,(H2,10,11)/t9-/m0/s1
InChIKeyXIDZOSHRHBFUBE-VIFPVBQESA-N
XLogP0.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate
CID 101474558
(2E)-2-[2,2-bis(methoxycarbonyl)cyclopentylidene]propanoic acid
CID 10706214
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
methyl 1-[(Z)-N-hydroxy-C-[(Z)-N-hydroxy-C-(1-methoxycarbonyl-2-oxocyclopentyl)carbonimidoyl]carbonimidoyl]-2-oxocyclopentane-1-carboxylate
CID 135777494
propan-2-yl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134966619
dimethyl 4-methylidene-3-prop-1-en-2-ylcycloheptane-1,1-dicarboxylate
CID 10801710
dimethyl (3aS,7aS)-3a,7a-dimethyl-3-methylidene-4-oxo-2,5,6,7-tetrahydroindene-1,1-dicarboxylate
CID 101411624
dimethyl (2E)-3-methylidene-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexane-1,1-dicarboxylate
CID 11176775
methyl (1R,6R)-5-oxobicyclo[4.1.0]heptane-1-carboxylate
CID 11768947
ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate
CID 135055696
methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate
CID 727235
benzyl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134848518

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate (CID 130942720) is methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate is C=C1CCC[C@]1(C(N)=O)C(=O)OC.
What is the InChIKey of methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate?
The InChIKey is XIDZOSHRHBFUBE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-4-3-5-9(6,7(10)11)8(12)13-2/h1,3-5H2,2H3,(H2,10,11)/t9-/m0/s1.
What are the key properties of methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate?
methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 130942720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).