ethenyl(methoxy)carbamic acid

C4H7NO3 — CID 87087512

IUPACethenyl(methoxy)carbamic acid
SMILESC=CN(OC)C(=O)O
InChIInChI=1S/C4H7NO3/c1-3-5(8-2)4(6)7/h3H,1H2,2H3,(H,6,7)
InChIKeyVBXQDAAKRKHNRL-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.67
Rot. Bonds2

About ethenyl(methoxy)carbamic acid

ethenyl(methoxy)carbamic acid (PubChem CID 87087512) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is ethenyl(methoxy)carbamic acid.

Molecular Properties

Compound Nameethenyl(methoxy)carbamic acid
PubChem CID87087512
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Nameethenyl(methoxy)carbamic acid
SMILESC=CN(OC)C(=O)O
InChIInChI=1S/C4H7NO3/c1-3-5(8-2)4(6)7/h3H,1H2,2H3,(H,6,7)
InChIKeyVBXQDAAKRKHNRL-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-ethenyl-N-methoxycarbamate
CID 174918226
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CID 22665045
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CID 175504399
N-formyl-N-methoxybutanamide
CID 89360816
acetic acid;ethenethiol
CID 158183223
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
ethyl(methoxy)carbamic acid
CID 20532492
dimethylamino prop-2-enoate
CID 20697927
1-ethoxyprop-2-enyl(ethyl)carbamic acid
CID 87887808
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079
N-acetyl-N-ethenylacetamide
CID 15657389

Frequently Asked Questions

What is the IUPAC name of ethenyl(methoxy)carbamic acid?
The IUPAC name of ethenyl(methoxy)carbamic acid (CID 87087512) is ethenyl(methoxy)carbamic acid.
What is the SMILES notation for ethenyl(methoxy)carbamic acid?
The canonical SMILES for ethenyl(methoxy)carbamic acid is C=CN(OC)C(=O)O.
What is the InChIKey of ethenyl(methoxy)carbamic acid?
The InChIKey is VBXQDAAKRKHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-3-5(8-2)4(6)7/h3H,1H2,2H3,(H,6,7).
What are the key properties of ethenyl(methoxy)carbamic acid?
ethenyl(methoxy)carbamic acid has a molecular weight of 117.10 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(methoxy)carbamic acid is sourced from PubChem (CID 87087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).