(Z)-2-(dimethylamino)but-2-enal

C6H11NO — CID 123545778

IUPAC(Z)-2-(dimethylamino)but-2-enal
SMILESC/C=C(/C=O)N(C)C
InChIInChI=1S/C6H11NO/c1-4-6(5-8)7(2)3/h4-5H,1-3H3/b6-4-
InChIKeyVWYBGKSJAXMMKD-XQRVVYSFSA-N
MW113.16 g/mol
LogP0.65
Rot. Bonds2

About (Z)-2-(dimethylamino)but-2-enal

(Z)-2-(dimethylamino)but-2-enal (PubChem CID 123545778) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-2-(dimethylamino)but-2-enal.

Molecular Properties

Compound Name(Z)-2-(dimethylamino)but-2-enal
PubChem CID123545778
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-2-(dimethylamino)but-2-enal
SMILESC/C=C(/C=O)N(C)C
InChIInChI=1S/C6H11NO/c1-4-6(5-8)7(2)3/h4-5H,1-3H3/b6-4-
InChIKeyVWYBGKSJAXMMKD-XQRVVYSFSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.65
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'}

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Related Compounds

Dimethylaminoacroleine
CID 12773248
2-Diethylamino-2-butenal
CID 73308882
3-(Dimethylamino)-2-butenal
CID 85864581
(E)-2-(diethylamino)but-2-enal
CID 12773254
Dimethylaminopentadienal
CID 129808187
Dimethylaminononatetraenal
CID 129808273
2-(Diethylamino)prop-2-enal
CID 12773250
(E)-3-(dimethylamino)but-2-enal
CID 14027400
1-methyl-2H-pyridine-6-carbaldehyde
CID 53959258
2-[Methyl(2-oxoethyl)amino]prop-2-enal
CID 89901291
(Z)-3-(dimethylamino)but-2-enal
CID 90928170
2-[Ethyl(propyl)amino]but-2-enal
CID 123556118

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(dimethylamino)but-2-enal?
The IUPAC name of (Z)-2-(dimethylamino)but-2-enal (CID 123545778) is (Z)-2-(dimethylamino)but-2-enal.
What is the SMILES notation for (Z)-2-(dimethylamino)but-2-enal?
The canonical SMILES for (Z)-2-(dimethylamino)but-2-enal is C/C=C(/C=O)N(C)C.
What is the InChIKey of (Z)-2-(dimethylamino)but-2-enal?
The InChIKey is VWYBGKSJAXMMKD-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(5-8)7(2)3/h4-5H,1-3H3/b6-4-.
What are the key properties of (Z)-2-(dimethylamino)but-2-enal?
(Z)-2-(dimethylamino)but-2-enal has a molecular weight of 113.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(dimethylamino)but-2-enal is sourced from PubChem (CID 123545778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).