methyl N-propylidenecarbamate

C5H9NO2 — CID 57032739

IUPACmethyl N-propylidenecarbamate
SMILESCCC=NC(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-4-6-5(7)8-2/h4H,3H2,1-2H3
InChIKeyHIHXJPZSLZIITK-UHFFFAOYSA-N
MW115.13 g/mol
LogP1.23
Rot. Bonds1

About methyl N-propylidenecarbamate

methyl N-propylidenecarbamate (PubChem CID 57032739) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl N-propylidenecarbamate.

Molecular Properties

Compound Namemethyl N-propylidenecarbamate
PubChem CID57032739
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl N-propylidenecarbamate
SMILESCCC=NC(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-4-6-5(7)8-2/h4H,3H2,1-2H3
InChIKeyHIHXJPZSLZIITK-UHFFFAOYSA-N
XLogP1.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.23
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
Methyl 3-ethyliminopropanoate
CID 7054794
methyl (NE)-N-ethylidenecarbamate
CID 22084553
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
butyl N-ethylidenecarbamate
CID 56621636
methyl N-pentylidenecarbamate
CID 56623768
methyl N-ethylidenecarbamate
CID 56631148
methyl N-butylidenecarbamate
CID 57181474
methyl (NZ)-N-ethylidenecarbamate
CID 59960677

Frequently Asked Questions

What is the IUPAC name of methyl N-propylidenecarbamate?
The IUPAC name of methyl N-propylidenecarbamate (CID 57032739) is methyl N-propylidenecarbamate.
What is the SMILES notation for methyl N-propylidenecarbamate?
The canonical SMILES for methyl N-propylidenecarbamate is CCC=NC(=O)OC.
What is the InChIKey of methyl N-propylidenecarbamate?
The InChIKey is HIHXJPZSLZIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4-6-5(7)8-2/h4H,3H2,1-2H3.
What are the key properties of methyl N-propylidenecarbamate?
methyl N-propylidenecarbamate has a molecular weight of 115.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-propylidenecarbamate is sourced from PubChem (CID 57032739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).