[(E)-prop-1-enyl]carbamic acid

C4H7NO2 — CID 22997249

IUPAC[(E)-prop-1-enyl]carbamic acid
SMILESC/C=C/NC(=O)O
InChIInChI=1S/C4H7NO2/c1-2-3-5-4(6)7/h2-3,5H,1H3,(H,6,7)/b3-2+
InChIKeyCLNOLIHYZHJCES-NSCUHMNNSA-N
MW101.10 g/mol
LogP0.79
Rot. Bonds1

About [(E)-prop-1-enyl]carbamic acid

[(E)-prop-1-enyl]carbamic acid (PubChem CID 22997249) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is [(E)-prop-1-enyl]carbamic acid.

Molecular Properties

Compound Name[(E)-prop-1-enyl]carbamic acid
PubChem CID22997249
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name[(E)-prop-1-enyl]carbamic acid
SMILESC/C=C/NC(=O)O
InChIInChI=1S/C4H7NO2/c1-2-3-5-4(6)7/h2-3,5H,1H3,(H,6,7)/b3-2+
InChIKeyCLNOLIHYZHJCES-NSCUHMNNSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl]carbamic acid?
The IUPAC name of [(E)-prop-1-enyl]carbamic acid (CID 22997249) is [(E)-prop-1-enyl]carbamic acid.
What is the SMILES notation for [(E)-prop-1-enyl]carbamic acid?
The canonical SMILES for [(E)-prop-1-enyl]carbamic acid is C/C=C/NC(=O)O.
What is the InChIKey of [(E)-prop-1-enyl]carbamic acid?
The InChIKey is CLNOLIHYZHJCES-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-3-5-4(6)7/h2-3,5H,1H3,(H,6,7)/b3-2+.
What are the key properties of [(E)-prop-1-enyl]carbamic acid?
[(E)-prop-1-enyl]carbamic acid has a molecular weight of 101.10 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl]carbamic acid is sourced from PubChem (CID 22997249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).