(E)-3-(ethenylamino)prop-2-enal

C5H7NO — CID 163992094

IUPAC(E)-3-(ethenylamino)prop-2-enal
SMILESC=CN/C=C/C=O
InChIInChI=1S/C5H7NO/c1-2-6-4-3-5-7/h2-6H,1H2/b4-3+
InChIKeyUBNKXVHIXPKBEB-ONEGZZNKSA-N
MW97.12 g/mol
LogP0.43
Rot. Bonds3

About (E)-3-(ethenylamino)prop-2-enal

(E)-3-(ethenylamino)prop-2-enal (PubChem CID 163992094) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (E)-3-(ethenylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(ethenylamino)prop-2-enal
PubChem CID163992094
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(E)-3-(ethenylamino)prop-2-enal
SMILESC=CN/C=C/C=O
InChIInChI=1S/C5H7NO/c1-2-6-4-3-5-7/h2-6H,1H2/b4-3+
InChIKeyUBNKXVHIXPKBEB-ONEGZZNKSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-oxoprop-1-enyl]formamide
CID 142409762
N-[(1E)-buta-1,3-dienyl]formamide
CID 19067293
N-ethenylformamide;polane
CID 173327800
3-(ethenylamino)prop-2-enoic acid
CID 87774875
(Z)-N-ethenyl-N',N'-dimethylethene-1,2-diamine
CID 139522049
N-ethenyl-2-[2-(ethenylamino)ethenylsulfanyl]ethenamine
CID 154410935
but-2-enedial;copper
CID 174314977
(Z)-3-(2-methylhydrazinyl)prop-2-enal
CID 166135951
N-[(E)-3-oxoprop-1-enyl]acetamide
CID 12509734
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
alumane;prop-2-enal
CID 174642654
ethene;prop-2-enal
CID 159863612

Frequently Asked Questions

What is the IUPAC name of (E)-3-(ethenylamino)prop-2-enal?
The IUPAC name of (E)-3-(ethenylamino)prop-2-enal (CID 163992094) is (E)-3-(ethenylamino)prop-2-enal.
What is the SMILES notation for (E)-3-(ethenylamino)prop-2-enal?
The canonical SMILES for (E)-3-(ethenylamino)prop-2-enal is C=CN/C=C/C=O.
What is the InChIKey of (E)-3-(ethenylamino)prop-2-enal?
The InChIKey is UBNKXVHIXPKBEB-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-6-4-3-5-7/h2-6H,1H2/b4-3+.
What are the key properties of (E)-3-(ethenylamino)prop-2-enal?
(E)-3-(ethenylamino)prop-2-enal has a molecular weight of 97.12 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(ethenylamino)prop-2-enal is sourced from PubChem (CID 163992094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).