5-(dimethylamino)pent-3-enal

C7H13NO — CID 174058957

IUPAC5-(dimethylamino)pent-3-enal
SMILESCN(C)CC=CCC=O
InChIInChI=1S/C7H13NO/c1-8(2)6-4-3-5-7-9/h3-4,7H,5-6H2,1-2H3
InChIKeySBLSGDUEOYWHOQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.69
Rot. Bonds4

About 5-(dimethylamino)pent-3-enal

5-(dimethylamino)pent-3-enal (PubChem CID 174058957) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-(dimethylamino)pent-3-enal.

Molecular Properties

Compound Name5-(dimethylamino)pent-3-enal
PubChem CID174058957
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-(dimethylamino)pent-3-enal
SMILESCN(C)CC=CCC=O
InChIInChI=1S/C7H13NO/c1-8(2)6-4-3-5-7-9/h3-4,7H,5-6H2,1-2H3
InChIKeySBLSGDUEOYWHOQ-UHFFFAOYSA-N
XLogP0.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-hex-3-enal
CID 162039404
(E)-7-(dimethylamino)-4-oxohept-5-enal
CID 171529759
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
CID 155386408
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
6-methylhept-3-enal
CID 91484741
(Z)-6,6,6-trideuteriohex-3-enal
CID 10441654
(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
CID 23271071
(Z)-6-oxohept-3-enal
CID 134987885
N,N-dimethyl-7-oxohepta-2,4-dienamide
CID 137379587

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pent-3-enal?
The IUPAC name of 5-(dimethylamino)pent-3-enal (CID 174058957) is 5-(dimethylamino)pent-3-enal.
What is the SMILES notation for 5-(dimethylamino)pent-3-enal?
The canonical SMILES for 5-(dimethylamino)pent-3-enal is CN(C)CC=CCC=O.
What is the InChIKey of 5-(dimethylamino)pent-3-enal?
The InChIKey is SBLSGDUEOYWHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8(2)6-4-3-5-7-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-(dimethylamino)pent-3-enal?
5-(dimethylamino)pent-3-enal has a molecular weight of 127.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pent-3-enal is sourced from PubChem (CID 174058957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).