2-(dimethylamino)prop-2-enal

C5H9NO — CID 12773248

IUPAC2-(dimethylamino)prop-2-enal
SMILESC=C(C=O)N(C)C
InChIInChI=1S/C5H9NO/c1-5(4-7)6(2)3/h4H,1H2,2-3H3
InChIKeyYPZHGCXPADBGBP-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.26
Rot. Bonds2

About 2-(dimethylamino)prop-2-enal

2-(dimethylamino)prop-2-enal (PubChem CID 12773248) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name2-(dimethylamino)prop-2-enal
PubChem CID12773248
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-(dimethylamino)prop-2-enal
SMILESC=C(C=O)N(C)C
InChIInChI=1S/C5H9NO/c1-5(4-7)6(2)3/h4H,1H2,2-3H3
InChIKeyYPZHGCXPADBGBP-UHFFFAOYSA-N
XLogP0.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)prop-2-enal?
The IUPAC name of 2-(dimethylamino)prop-2-enal (CID 12773248) is 2-(dimethylamino)prop-2-enal.
What is the SMILES notation for 2-(dimethylamino)prop-2-enal?
The canonical SMILES for 2-(dimethylamino)prop-2-enal is C=C(C=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)prop-2-enal?
The InChIKey is YPZHGCXPADBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(4-7)6(2)3/h4H,1H2,2-3H3.
What are the key properties of 2-(dimethylamino)prop-2-enal?
2-(dimethylamino)prop-2-enal has a molecular weight of 99.13 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)prop-2-enal is sourced from PubChem (CID 12773248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).