propan-2-yl N-ethylidenecarbamate

C6H11NO2 — CID 57228279

IUPACpropan-2-yl N-ethylidenecarbamate
SMILESCC=NC(=O)OC(C)C
InChIInChI=1S/C6H11NO2/c1-4-7-6(8)9-5(2)3/h4-5H,1-3H3
InChIKeyHFPSLWIOYRCBRR-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.62
Rot. Bonds1

About propan-2-yl N-ethylidenecarbamate

propan-2-yl N-ethylidenecarbamate (PubChem CID 57228279) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is propan-2-yl N-ethylidenecarbamate.

Molecular Properties

Compound Namepropan-2-yl N-ethylidenecarbamate
PubChem CID57228279
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepropan-2-yl N-ethylidenecarbamate
SMILESCC=NC(=O)OC(C)C
InChIInChI=1S/C6H11NO2/c1-4-7-6(8)9-5(2)3/h4-5H,1-3H3
InChIKeyHFPSLWIOYRCBRR-UHFFFAOYSA-N
XLogP1.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.62
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
5-methyl-5H-1,3-oxazol-2-one
CID 18788457
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-ethoxyethylidene)carbamate
CID 57031209
tert-butyl (NE)-N-ethylidenecarbamate
CID 57957861
methyl N-butan-2-yloxycarbonylethanimidate
CID 73676668

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-ethylidenecarbamate?
The IUPAC name of propan-2-yl N-ethylidenecarbamate (CID 57228279) is propan-2-yl N-ethylidenecarbamate.
What is the SMILES notation for propan-2-yl N-ethylidenecarbamate?
The canonical SMILES for propan-2-yl N-ethylidenecarbamate is CC=NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-ethylidenecarbamate?
The InChIKey is HFPSLWIOYRCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-7-6(8)9-5(2)3/h4-5H,1-3H3.
What are the key properties of propan-2-yl N-ethylidenecarbamate?
propan-2-yl N-ethylidenecarbamate has a molecular weight of 129.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-ethylidenecarbamate is sourced from PubChem (CID 57228279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).