2-methylpropyl N-ethylidenecarbamate

C7H13NO2 — CID 123386194

IUPAC2-methylpropyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC(C)C
InChIInChI=1S/C7H13NO2/c1-4-8-7(9)10-5-6(2)3/h4,6H,5H2,1-3H3
InChIKeyBMOJRXWTSUOGJF-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.87
Rot. Bonds2

About 2-methylpropyl N-ethylidenecarbamate

2-methylpropyl N-ethylidenecarbamate (PubChem CID 123386194) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methylpropyl N-ethylidenecarbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethylidenecarbamate
PubChem CID123386194
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methylpropyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC(C)C
InChIInChI=1S/C7H13NO2/c1-4-8-7(9)10-5-6(2)3/h4,6H,5H2,1-3H3
InChIKeyBMOJRXWTSUOGJF-UHFFFAOYSA-N
XLogP1.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aethyliden-Urethan
CID 56617959
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
tert-butyl (NZ)-N-ethylidenecarbamate
CID 89976741
ethyl N-(2,2-dicyanoethylidene)carbamate
CID 91328166
ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
CID 134972749
ethyl N-butylidenecarbamate
CID 56612191
tert-butyl N-ethylidenecarbamate
CID 56612991
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
butyl N-ethylidenecarbamate
CID 56621636
ethyl N-(2-methylpentylidene)carbamate
CID 56623678
ethyl N-(2-methylbutylidene)carbamate
CID 56637023

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-ethylidenecarbamate?
The IUPAC name of 2-methylpropyl N-ethylidenecarbamate (CID 123386194) is 2-methylpropyl N-ethylidenecarbamate.
What is the SMILES notation for 2-methylpropyl N-ethylidenecarbamate?
The canonical SMILES for 2-methylpropyl N-ethylidenecarbamate is CC=NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethylidenecarbamate?
The InChIKey is BMOJRXWTSUOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8-7(9)10-5-6(2)3/h4,6H,5H2,1-3H3.
What are the key properties of 2-methylpropyl N-ethylidenecarbamate?
2-methylpropyl N-ethylidenecarbamate has a molecular weight of 143.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethylidenecarbamate is sourced from PubChem (CID 123386194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).