methyl 2-methyliminocyclopentane-1-carboxylate

C8H13NO2 — CID 139895330

IUPACmethyl 2-methyliminocyclopentane-1-carboxylate
SMILESC/N=C1\CCCC1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-9-7-5-3-4-6(7)8(10)11-2/h6H,3-5H2,1-2H3/b9-7+
InChIKeyLGQLJXRUVZWHSZ-VQHVLOKHSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds1

About methyl 2-methyliminocyclopentane-1-carboxylate

methyl 2-methyliminocyclopentane-1-carboxylate (PubChem CID 139895330) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-methyliminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyliminocyclopentane-1-carboxylate
PubChem CID139895330
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-methyliminocyclopentane-1-carboxylate
SMILESC/N=C1\CCCC1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-9-7-5-3-4-6(7)8(10)11-2/h6H,3-5H2,1-2H3/b9-7+
InChIKeyLGQLJXRUVZWHSZ-VQHVLOKHSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-Methyl 3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 45115905
Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
CID 15297219
Ethyl 2-iminocyclopentanecarboxylate
CID 23344256
Ethyl 2-methoxyiminocyclopentane-1-carboxylate
CID 86168958
Methyl 2-hydroxyiminocyclopentane-1-carboxylate
CID 86184037
Propyl 3-hydroxyiminocyclopentane-1-carboxylate
CID 88833662
Methyl 3-hydroxyiminocyclopentane-1-carboxylate
CID 88834082
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
CID 91391939

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyliminocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methyliminocyclopentane-1-carboxylate (CID 139895330) is methyl 2-methyliminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methyliminocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methyliminocyclopentane-1-carboxylate is C/N=C1\CCCC1C(=O)OC.
What is the InChIKey of methyl 2-methyliminocyclopentane-1-carboxylate?
The InChIKey is LGQLJXRUVZWHSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-7-5-3-4-6(7)8(10)11-2/h6H,3-5H2,1-2H3/b9-7+.
What are the key properties of methyl 2-methyliminocyclopentane-1-carboxylate?
methyl 2-methyliminocyclopentane-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyliminocyclopentane-1-carboxylate is sourced from PubChem (CID 139895330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).