methyl 2-ethyliminocyclopentane-1-carboxylate

C9H15NO2 — CID 139895361

IUPACmethyl 2-ethyliminocyclopentane-1-carboxylate
SMILESCC/N=C1\CCCC1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-10-8-6-4-5-7(8)9(11)12-2/h7H,3-6H2,1-2H3/b10-8+
InChIKeyUCJRNMUWWPIJGW-CSKARUKUSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-ethyliminocyclopentane-1-carboxylate

methyl 2-ethyliminocyclopentane-1-carboxylate (PubChem CID 139895361) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-ethyliminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyliminocyclopentane-1-carboxylate
PubChem CID139895361
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-ethyliminocyclopentane-1-carboxylate
SMILESCC/N=C1\CCCC1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-10-8-6-4-5-7(8)9(11)12-2/h7H,3-6H2,1-2H3/b10-8+
InChIKeyUCJRNMUWWPIJGW-CSKARUKUSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
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
Ethyl 2-iminocyclopentanecarboxylate
CID 23344256
Ethyl 2-methoxyiminocyclopentane-1-carboxylate
CID 86168958
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-[2-(dimethylamino)ethylimino]cyclopentane-1-carboxylate
CID 91103134
Ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
CID 91391939
Methyl 2-iminocyclopentane-1-carboxylate
CID 91580598
methyl (2S,4S)-4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 122451420
methyl (1R)-3-iminocyclopentane-1-carboxylate
CID 123242262

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyliminocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-ethyliminocyclopentane-1-carboxylate (CID 139895361) is methyl 2-ethyliminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-ethyliminocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-ethyliminocyclopentane-1-carboxylate is CC/N=C1\CCCC1C(=O)OC.
What is the InChIKey of methyl 2-ethyliminocyclopentane-1-carboxylate?
The InChIKey is UCJRNMUWWPIJGW-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-10-8-6-4-5-7(8)9(11)12-2/h7H,3-6H2,1-2H3/b10-8+.
What are the key properties of methyl 2-ethyliminocyclopentane-1-carboxylate?
methyl 2-ethyliminocyclopentane-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyliminocyclopentane-1-carboxylate is sourced from PubChem (CID 139895361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).