(E)-2,3-bis(dimethylamino)prop-2-enal

C7H14N2O — CID 5371442

IUPAC(E)-2,3-bis(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-8(2)5-7(6-10)9(3)4/h5-6H,1-4H3/b7-5+
InChIKeyZIHJNEZPPMZFGK-FNORWQNLSA-N
MW142.20 g/mol
LogP0.15
Rot. Bonds3

About (E)-2,3-bis(dimethylamino)prop-2-enal

(E)-2,3-bis(dimethylamino)prop-2-enal (PubChem CID 5371442) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-2,3-bis(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-2,3-bis(dimethylamino)prop-2-enal
PubChem CID5371442
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(E)-2,3-bis(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-8(2)5-7(6-10)9(3)4/h5-6H,1-4H3/b7-5+
InChIKeyZIHJNEZPPMZFGK-FNORWQNLSA-N
XLogP0.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Amino-3-(dimethylamino)prop-2-enal
CID 76224519
2-Propenal, 2-(diethylamino)-3-(dimethylamino)-
CID 5367695
2-Propenal, 3-(dimethylamino)-2-(methylamino)-
CID 5371636
2-(Diethylamino)prop-2-enal
CID 12773250
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
2-(dimethylamino)-1,3-dimethyl-2H-imidazole-4-carbaldehyde
CID 87448690
(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
CID 89094997
(Z)-3-amino-2-(methylamino)prop-2-enal
CID 89738463
2-[Methyl(2-oxoethyl)amino]prop-2-enal
CID 89901291
(Z)-3-amino-2-(ethylamino)prop-2-enal
CID 89901305
(3-Formyl-4-methylpyrazin-1-yl)boronic acid
CID 90780294

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(dimethylamino)prop-2-enal?
The IUPAC name of (E)-2,3-bis(dimethylamino)prop-2-enal (CID 5371442) is (E)-2,3-bis(dimethylamino)prop-2-enal.
What is the SMILES notation for (E)-2,3-bis(dimethylamino)prop-2-enal?
The canonical SMILES for (E)-2,3-bis(dimethylamino)prop-2-enal is CN(C)/C=C(\C=O)N(C)C.
What is the InChIKey of (E)-2,3-bis(dimethylamino)prop-2-enal?
The InChIKey is ZIHJNEZPPMZFGK-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8(2)5-7(6-10)9(3)4/h5-6H,1-4H3/b7-5+.
What are the key properties of (E)-2,3-bis(dimethylamino)prop-2-enal?
(E)-2,3-bis(dimethylamino)prop-2-enal has a molecular weight of 142.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(dimethylamino)prop-2-enal is sourced from PubChem (CID 5371442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).