3-cyclopentylpropyl N-ethylidenecarbamate

C11H19NO2 — CID 123211187

IUPAC3-cyclopentylpropyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCC1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-12-11(13)14-9-5-8-10-6-3-4-7-10/h2,10H,3-9H2,1H3
InChIKeyDWNMRRJYDJOGIM-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.18
Rot. Bonds4

About 3-cyclopentylpropyl N-ethylidenecarbamate

3-cyclopentylpropyl N-ethylidenecarbamate (PubChem CID 123211187) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-cyclopentylpropyl N-ethylidenecarbamate.

Molecular Properties

Compound Name3-cyclopentylpropyl N-ethylidenecarbamate
PubChem CID123211187
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-cyclopentylpropyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCC1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-12-11(13)14-9-5-8-10-6-3-4-7-10/h2,10H,3-9H2,1H3
InChIKeyDWNMRRJYDJOGIM-UHFFFAOYSA-N
XLogP3.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl N-(2-methylpropylidene)carbamate
CID 56633136
decyl N-ethylidenecarbamate
CID 123347411
3-cyclohexylpropyl N-ethylidenecarbamate
CID 123441124
octyl N-ethylidenecarbamate
CID 123466877
5-cyclohexylpentyl N-ethylidenecarbamate
CID 123633150
4-cyclopentylbutyl N-ethylidenecarbamate
CID 124024426

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropyl N-ethylidenecarbamate?
The IUPAC name of 3-cyclopentylpropyl N-ethylidenecarbamate (CID 123211187) is 3-cyclopentylpropyl N-ethylidenecarbamate.
What is the SMILES notation for 3-cyclopentylpropyl N-ethylidenecarbamate?
The canonical SMILES for 3-cyclopentylpropyl N-ethylidenecarbamate is CC=NC(=O)OCCCC1CCCC1.
What is the InChIKey of 3-cyclopentylpropyl N-ethylidenecarbamate?
The InChIKey is DWNMRRJYDJOGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-12-11(13)14-9-5-8-10-6-3-4-7-10/h2,10H,3-9H2,1H3.
What are the key properties of 3-cyclopentylpropyl N-ethylidenecarbamate?
3-cyclopentylpropyl N-ethylidenecarbamate has a molecular weight of 197.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropyl N-ethylidenecarbamate is sourced from PubChem (CID 123211187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).