ethenone;prop-2-en-1-amine

C5H9NO — CID 173182769

IUPACethenone;prop-2-en-1-amine
SMILESC=C=O.C=CCN
InChIInChI=1S/C3H7N.C2H2O/c1-2-3-4;1-2-3/h2H,1,3-4H2;1H2
InChIKeyFMWPMVLWHYUFCF-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.14
Rot. Bonds1

About ethenone;prop-2-en-1-amine

ethenone;prop-2-en-1-amine (PubChem CID 173182769) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is ethenone;prop-2-en-1-amine.

Molecular Properties

Compound Nameethenone;prop-2-en-1-amine
PubChem CID173182769
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Nameethenone;prop-2-en-1-amine
SMILESC=C=O.C=CCN
InChIInChI=1S/C3H7N.C2H2O/c1-2-3-4;1-2-3/h2H,1,3-4H2;1H2
InChIKeyFMWPMVLWHYUFCF-UHFFFAOYSA-N
XLogP0.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-en-1-amine;zinc;hydrochloride
CID 174943881
azane;prop-2-en-1-amine;hydrochloride
CID 174769077
fluoromethane;prop-2-en-1-amine
CID 173426164
cyclohexane;bis(prop-2-en-1-amine)
CID 67816454
2-methylpropane;prop-2-en-1-amine
CID 161130166
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276
fluorophosphonic acid;prop-2-en-1-amine
CID 173413969
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87783946
carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium
CID 158230878
acetic acid;prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 173127954
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethenone;prop-2-en-1-amine?
The IUPAC name of ethenone;prop-2-en-1-amine (CID 173182769) is ethenone;prop-2-en-1-amine.
What is the SMILES notation for ethenone;prop-2-en-1-amine?
The canonical SMILES for ethenone;prop-2-en-1-amine is C=C=O.C=CCN.
What is the InChIKey of ethenone;prop-2-en-1-amine?
The InChIKey is FMWPMVLWHYUFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C2H2O/c1-2-3-4;1-2-3/h2H,1,3-4H2;1H2.
What are the key properties of ethenone;prop-2-en-1-amine?
ethenone;prop-2-en-1-amine has a molecular weight of 99.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenone;prop-2-en-1-amine is sourced from PubChem (CID 173182769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).