methyl N-prop-2-enylidenecarbamate

C5H7NO2 — CID 123840032

IUPACmethyl N-prop-2-enylidenecarbamate
SMILESC=CC=NC(=O)OC
InChIInChI=1S/C5H7NO2/c1-3-4-6-5(7)8-2/h3-4H,1H2,2H3
InChIKeyCPHQGUQUWJDEGZ-UHFFFAOYSA-N
MW113.12 g/mol
LogP1.01
Rot. Bonds1

About methyl N-prop-2-enylidenecarbamate

methyl N-prop-2-enylidenecarbamate (PubChem CID 123840032) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is methyl N-prop-2-enylidenecarbamate.

Molecular Properties

Compound Namemethyl N-prop-2-enylidenecarbamate
PubChem CID123840032
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Namemethyl N-prop-2-enylidenecarbamate
SMILESC=CC=NC(=O)OC
InChIInChI=1S/C5H7NO2/c1-3-4-6-5(7)8-2/h3-4H,1H2,2H3
InChIKeyCPHQGUQUWJDEGZ-UHFFFAOYSA-N
XLogP1.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 51.01
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

ethyl N-but-2-enylidenecarbamate
CID 123386584
methyl N-but-2-enylidenecarbamate
CID 123498609
propyl N-but-2-enylidenecarbamate
CID 123754289
methyl N-[(2Z,4Z)-hexa-2,4-dienylidene]carbamate
CID 173730140
Prop-2-enylidenecarbamic acid
CID 175459397
methyl (NE)-N-[(2Z)-penta-2,4-dienylidene]carbamate
CID 177516768
methyl (NE)-N-[(2Z,4Z)-hepta-2,4,6-trienylidene]carbamate
CID 177527977
methyl (NE)-N-[(2E)-penta-2,4-dienylidene]carbamate
CID 177553754

Frequently Asked Questions

What is the IUPAC name of methyl N-prop-2-enylidenecarbamate?
The IUPAC name of methyl N-prop-2-enylidenecarbamate (CID 123840032) is methyl N-prop-2-enylidenecarbamate.
What is the SMILES notation for methyl N-prop-2-enylidenecarbamate?
The canonical SMILES for methyl N-prop-2-enylidenecarbamate is C=CC=NC(=O)OC.
What is the InChIKey of methyl N-prop-2-enylidenecarbamate?
The InChIKey is CPHQGUQUWJDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-4-6-5(7)8-2/h3-4H,1H2,2H3.
What are the key properties of methyl N-prop-2-enylidenecarbamate?
methyl N-prop-2-enylidenecarbamate has a molecular weight of 113.12 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-prop-2-enylidenecarbamate is sourced from PubChem (CID 123840032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).