3-(dimethylamino)-3-pyridin-3-ylprop-2-enal

C10H12N2O — CID 173045135

IUPAC3-(dimethylamino)-3-pyridin-3-ylprop-2-enal
SMILESCN(C)C(=CC=O)c1cccnc1
InChIInChI=1S/C10H12N2O/c1-12(2)10(5-7-13)9-4-3-6-11-8-9/h3-8H,1-2H3
InChIKeyZXEIQNPRIIQFJA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds3

About 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal

3-(dimethylamino)-3-pyridin-3-ylprop-2-enal (PubChem CID 173045135) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal.

Molecular Properties

Compound Name3-(dimethylamino)-3-pyridin-3-ylprop-2-enal
PubChem CID173045135
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(dimethylamino)-3-pyridin-3-ylprop-2-enal
SMILESCN(C)C(=CC=O)c1cccnc1
InChIInChI=1S/C10H12N2O/c1-12(2)10(5-7-13)9-4-3-6-11-8-9/h3-8H,1-2H3
InChIKeyZXEIQNPRIIQFJA-UHFFFAOYSA-N
XLogP1.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.18
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

N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol
CID 141451458
(111C)methyl pyridine-3-carboxylate
CID 11309537
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
2-oxoethyl pyridine-3-carboxylate
CID 54542225
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
(Z)-N,N'-dimethyl-1-pyridin-3-ylethene-1,2-diamine
CID 70250575

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal?
The IUPAC name of 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal (CID 173045135) is 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal.
What is the SMILES notation for 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal?
The canonical SMILES for 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal is CN(C)C(=CC=O)c1cccnc1.
What is the InChIKey of 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal?
The InChIKey is ZXEIQNPRIIQFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(2)10(5-7-13)9-4-3-6-11-8-9/h3-8H,1-2H3.
What are the key properties of 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal?
3-(dimethylamino)-3-pyridin-3-ylprop-2-enal has a molecular weight of 176.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-pyridin-3-ylprop-2-enal is sourced from PubChem (CID 173045135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).