(2Z)-4-(dimethylamino)penta-2,4-dienal

C7H11NO — CID 45087254

IUPAC(2Z)-4-(dimethylamino)penta-2,4-dienal
SMILESC=C(/C=C\C=O)N(C)C
InChIInChI=1S/C7H11NO/c1-7(8(2)3)5-4-6-9/h4-6H,1H2,2-3H3/b5-4-
InChIKeyVLSWSEJOSCZBFI-PLNGDYQASA-N
MW125.17 g/mol
LogP0.82
Rot. Bonds3

About (2Z)-4-(dimethylamino)penta-2,4-dienal

(2Z)-4-(dimethylamino)penta-2,4-dienal (PubChem CID 45087254) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2Z)-4-(dimethylamino)penta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-4-(dimethylamino)penta-2,4-dienal
PubChem CID45087254
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2Z)-4-(dimethylamino)penta-2,4-dienal
SMILESC=C(/C=C\C=O)N(C)C
InChIInChI=1S/C7H11NO/c1-7(8(2)3)5-4-6-9/h4-6H,1H2,2-3H3/b5-4-
InChIKeyVLSWSEJOSCZBFI-PLNGDYQASA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
CID 168967318
(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
CID 134313131
(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
CID 166982153
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
(Z)-N,N'-dimethyl-4-oxobut-2-enehydrazide
CID 138706048
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine
CID 142817830
[[[(3Z)-hexa-1,3,5-trien-2-yl]-methylamino]-methylamino]methanol
CID 174258657
6-oxohepta-2,4-dienal
CID 54295604
(2S)-2-[2-(ethenylamino)ethyl]-2-[methyl-[(3Z)-5-oxopenta-1,3-dien-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 134257960
but-2-enal;2-methylprop-2-enal
CID 173455784
4-methylocta-2,4,6-trienedial
CID 74956406

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(dimethylamino)penta-2,4-dienal?
The IUPAC name of (2Z)-4-(dimethylamino)penta-2,4-dienal (CID 45087254) is (2Z)-4-(dimethylamino)penta-2,4-dienal.
What is the SMILES notation for (2Z)-4-(dimethylamino)penta-2,4-dienal?
The canonical SMILES for (2Z)-4-(dimethylamino)penta-2,4-dienal is C=C(/C=C\C=O)N(C)C.
What is the InChIKey of (2Z)-4-(dimethylamino)penta-2,4-dienal?
The InChIKey is VLSWSEJOSCZBFI-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO/c1-7(8(2)3)5-4-6-9/h4-6H,1H2,2-3H3/b5-4-.
What are the key properties of (2Z)-4-(dimethylamino)penta-2,4-dienal?
(2Z)-4-(dimethylamino)penta-2,4-dienal has a molecular weight of 125.17 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(dimethylamino)penta-2,4-dienal is sourced from PubChem (CID 45087254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).