3-[[(Z)-prop-1-enyl]amino]propanal

C6H11NO — CID 143480247

IUPAC3-[[(Z)-prop-1-enyl]amino]propanal
SMILESC/C=C\NCCC=O
InChIInChI=1S/C6H11NO/c1-2-4-7-5-3-6-8/h2,4,6-7H,3,5H2,1H3/b4-2-
InChIKeyPQLREXRIFAAUQV-RQOWECAXSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds4

About 3-[[(Z)-prop-1-enyl]amino]propanal

3-[[(Z)-prop-1-enyl]amino]propanal (PubChem CID 143480247) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-[[(Z)-prop-1-enyl]amino]propanal.

Molecular Properties

Compound Name3-[[(Z)-prop-1-enyl]amino]propanal
PubChem CID143480247
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-[[(Z)-prop-1-enyl]amino]propanal
SMILESC/C=C\NCCC=O
InChIInChI=1S/C6H11NO/c1-2-4-7-5-3-6-8/h2,4,6-7H,3,5H2,1H3/b4-2-
InChIKeyPQLREXRIFAAUQV-RQOWECAXSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-prop-1-enyl]but-3-en-1-amine
CID 143057399
2-(prop-1-enylamino)acetaldehyde
CID 173097369
N-(2-chloroethyl)prop-1-en-1-amine
CID 176897576
N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
(E)-4-oxo-4-[2-[2-[2-[[(E)-prop-1-enyl]amino]ethylamino]ethylamino]ethylamino]but-2-enoic acid
CID 101277476
(E)-4-oxo-4-[2-[[(E)-prop-1-enyl]amino]ethylamino]but-2-enoic acid
CID 101277231
N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
2-[2-(prop-1-enylamino)ethoxy]ethanol
CID 154242626
ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine
CID 143466587
N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine
CID 144808694

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-prop-1-enyl]amino]propanal?
The IUPAC name of 3-[[(Z)-prop-1-enyl]amino]propanal (CID 143480247) is 3-[[(Z)-prop-1-enyl]amino]propanal.
What is the SMILES notation for 3-[[(Z)-prop-1-enyl]amino]propanal?
The canonical SMILES for 3-[[(Z)-prop-1-enyl]amino]propanal is C/C=C\NCCC=O.
What is the InChIKey of 3-[[(Z)-prop-1-enyl]amino]propanal?
The InChIKey is PQLREXRIFAAUQV-RQOWECAXSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-4-7-5-3-6-8/h2,4,6-7H,3,5H2,1H3/b4-2-.
What are the key properties of 3-[[(Z)-prop-1-enyl]amino]propanal?
3-[[(Z)-prop-1-enyl]amino]propanal has a molecular weight of 113.16 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-prop-1-enyl]amino]propanal is sourced from PubChem (CID 143480247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).