6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde

C10H12N2O — CID 169473370

IUPAC6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde
SMILESCNCC=Cc1cccc(C=O)n1
InChIInChI=1S/C10H12N2O/c1-11-7-3-6-9-4-2-5-10(8-13)12-9/h2-6,8,11H,7H2,1H3
InChIKeyIEEVVOHZSALQND-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds4

About 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde

6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde (PubChem CID 169473370) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde
PubChem CID169473370
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde
SMILESCNCC=Cc1cccc(C=O)n1
InChIInChI=1S/C10H12N2O/c1-11-7-3-6-9-4-2-5-10(8-13)12-9/h2-6,8,11H,7H2,1H3
InChIKeyIEEVVOHZSALQND-UHFFFAOYSA-N
XLogP1.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(6-formyl-2-pyridinyl)prop-2-enenitrile
CID 169483263
2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473234
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473484
4-(6-chloro-2-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495248
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
2-(3-bromoprop-1-enyl)-6-methylpyridine
CID 169475003
methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate
CID 169465889
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
CID 122476089
6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
CID 26384987
3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine
CID 169473165
3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine
CID 169474840

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde (CID 169473370) is 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde is CNCC=Cc1cccc(C=O)n1.
What is the InChIKey of 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde?
The InChIKey is IEEVVOHZSALQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-11-7-3-6-9-4-2-5-10(8-13)12-9/h2-6,8,11H,7H2,1H3.
What are the key properties of 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde?
6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 169473370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).