prop-2-enylidenecarbamic acid

C4H5NO2 — CID 175459397

IUPACprop-2-enylidenecarbamic acid
SMILESC=CC=NC(=O)O
InChIInChI=1S/C4H5NO2/c1-2-3-5-4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyLZNNHSCAYSJIKI-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.92
Rot. Bonds1

About prop-2-enylidenecarbamic acid

prop-2-enylidenecarbamic acid (PubChem CID 175459397) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is prop-2-enylidenecarbamic acid.

Molecular Properties

Compound Nameprop-2-enylidenecarbamic acid
PubChem CID175459397
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Nameprop-2-enylidenecarbamic acid
SMILESC=CC=NC(=O)O
InChIInChI=1S/C4H5NO2/c1-2-3-5-4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyLZNNHSCAYSJIKI-UHFFFAOYSA-N
XLogP0.92
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

But-3-enylidenecarbamic acid
CID 57167904
methyl N-prop-2-enylidenecarbamate
CID 123840032

Frequently Asked Questions

What is the IUPAC name of prop-2-enylidenecarbamic acid?
The IUPAC name of prop-2-enylidenecarbamic acid (CID 175459397) is prop-2-enylidenecarbamic acid.
What is the SMILES notation for prop-2-enylidenecarbamic acid?
The canonical SMILES for prop-2-enylidenecarbamic acid is C=CC=NC(=O)O.
What is the InChIKey of prop-2-enylidenecarbamic acid?
The InChIKey is LZNNHSCAYSJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-2-3-5-4(6)7/h2-3H,1H2,(H,6,7).
What are the key properties of prop-2-enylidenecarbamic acid?
prop-2-enylidenecarbamic acid has a molecular weight of 99.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylidenecarbamic acid is sourced from PubChem (CID 175459397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).