2-(prop-1-en-2-ylamino)prop-2-enal

C6H9NO — CID 89343212

IUPAC2-(prop-1-en-2-ylamino)prop-2-enal
SMILESC=C(C)NC(=C)C=O
InChIInChI=1S/C6H9NO/c1-5(2)7-6(3)4-8/h4,7H,1,3H2,2H3
InChIKeyLYFCVBQUGQSFEF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds3

About 2-(prop-1-en-2-ylamino)prop-2-enal

2-(prop-1-en-2-ylamino)prop-2-enal (PubChem CID 89343212) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-(prop-1-en-2-ylamino)prop-2-enal.

Molecular Properties

Compound Name2-(prop-1-en-2-ylamino)prop-2-enal
PubChem CID89343212
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-(prop-1-en-2-ylamino)prop-2-enal
SMILESC=C(C)NC(=C)C=O
InChIInChI=1S/C6H9NO/c1-5(2)7-6(3)4-8/h4,7H,1,3H2,2H3
InChIKeyLYFCVBQUGQSFEF-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.82
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

1-oxo-3-(3-oxoprop-1-en-2-ylamino)but-2-ene-2-sulfonic acid
CID 174644561
2-methyl(113C)prop-2-enal
CID 71749931
sodium 1-oxo-3-(3-oxoprop-1-en-2-ylamino)but-2-ene-2-sulfonate
CID 174644560
benzene;2-methylprop-2-enal
CID 87152273
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
ethanol;2-methylprop-2-enal
CID 88639201
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
2-(2-methylpropylamino)prop-2-enal
CID 87965077
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal
CID 89381268

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-ylamino)prop-2-enal?
The IUPAC name of 2-(prop-1-en-2-ylamino)prop-2-enal (CID 89343212) is 2-(prop-1-en-2-ylamino)prop-2-enal.
What is the SMILES notation for 2-(prop-1-en-2-ylamino)prop-2-enal?
The canonical SMILES for 2-(prop-1-en-2-ylamino)prop-2-enal is C=C(C)NC(=C)C=O.
What is the InChIKey of 2-(prop-1-en-2-ylamino)prop-2-enal?
The InChIKey is LYFCVBQUGQSFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(2)7-6(3)4-8/h4,7H,1,3H2,2H3.
What are the key properties of 2-(prop-1-en-2-ylamino)prop-2-enal?
2-(prop-1-en-2-ylamino)prop-2-enal has a molecular weight of 111.14 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-ylamino)prop-2-enal is sourced from PubChem (CID 89343212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).