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

C10H12N2O — CID 173269986

IUPAC(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
SMILESCN(C)/C(C=O)=C/c1ccccn1
InChIInChI=1S/C10H12N2O/c1-12(2)10(8-13)7-9-5-3-4-6-11-9/h3-8H,1-2H3/b10-7+
InChIKeyGJAASWDCFOLAMU-JXMROGBWSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds3

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

(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal (PubChem CID 173269986) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal.

Molecular Properties

Compound Name(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
PubChem CID173269986
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
SMILESCN(C)/C(C=O)=C/c1ccccn1
InChIInChI=1S/C10H12N2O/c1-12(2)10(8-13)7-9-5-3-4-6-11-9/h3-8H,1-2H3/b10-7+
InChIKeyGJAASWDCFOLAMU-JXMROGBWSA-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

(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 54365611
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
(2Z)-2-(pyridin-2-ylmethylidene)hexanal
CID 88508885
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
(E)-N-(3-oxo-1-pyridin-2-ylprop-1-en-2-yl)but-2-enamide
CID 173269903
(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide
CID 11550424
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
CID 173269865

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal?
The IUPAC name of (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal (CID 173269986) is (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal.
What is the SMILES notation for (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal?
The canonical SMILES for (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal is CN(C)/C(C=O)=C/c1ccccn1.
What is the InChIKey of (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal?
The InChIKey is GJAASWDCFOLAMU-JXMROGBWSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(2)10(8-13)7-9-5-3-4-6-11-9/h3-8H,1-2H3/b10-7+.
What are the key properties of (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal?
(E)-2-(dimethylamino)-3-pyridin-2-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 (E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal is sourced from PubChem (CID 173269986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).