3-(3-oxopropylamino)propanal

C6H11NO2 — CID 54044358

IUPAC3-(3-oxopropylamino)propanal
SMILESO=CCCNCCC=O
InChIInChI=1S/C6H11NO2/c8-5-1-3-7-4-2-6-9/h5-7H,1-4H2
InChIKeyLONDZJRHKKWGII-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.25
Rot. Bonds6

About 3-(3-oxopropylamino)propanal

3-(3-oxopropylamino)propanal (PubChem CID 54044358) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(3-oxopropylamino)propanal.

Molecular Properties

Compound Name3-(3-oxopropylamino)propanal
PubChem CID54044358
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(3-oxopropylamino)propanal
SMILESO=CCCNCCC=O
InChIInChI=1S/C6H11NO2/c8-5-1-3-7-4-2-6-9/h5-7H,1-4H2
InChIKeyLONDZJRHKKWGII-UHFFFAOYSA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-Acetamidopropanal
CID 5460495
Spermine dialdehyde
CID 217390
Propionaldehyde, 3,3'-(tetramethylenediimino)di-, dihydrochloride
CID 217389
Spermine dialdehyde(2+)
CID 156621391
(4-Ammoniobutyl)(3-oxopropyl)azanium
CID 157049272
N'-(4-aminobutyl)-3-aminopropionaldehyde
CID 145925
Propanal, 3-(ethylamino)-2,2-dimethyl-
CID 11586309
2-Azapentan-1,5-dion
CID 18314545
3-(Methylamino)propanal
CID 21254778
Hydroxyethyloxopropylamine
CID 22439460
Hydroxypropyloxopropylamine
CID 57079531
4,4'-Azanediyldibutanal
CID 59036943

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopropylamino)propanal?
The IUPAC name of 3-(3-oxopropylamino)propanal (CID 54044358) is 3-(3-oxopropylamino)propanal.
What is the SMILES notation for 3-(3-oxopropylamino)propanal?
The canonical SMILES for 3-(3-oxopropylamino)propanal is O=CCCNCCC=O.
What is the InChIKey of 3-(3-oxopropylamino)propanal?
The InChIKey is LONDZJRHKKWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-1-3-7-4-2-6-9/h5-7H,1-4H2.
What are the key properties of 3-(3-oxopropylamino)propanal?
3-(3-oxopropylamino)propanal has a molecular weight of 129.16 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopropylamino)propanal is sourced from PubChem (CID 54044358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).