2-methyl-3-(N-methylanilino)prop-2-enal

C11H13NO — CID 174849182

IUPAC2-methyl-3-(N-methylanilino)prop-2-enal
SMILESCC(C=O)=CN(C)c1ccccc1
InChIInChI=1S/C11H13NO/c1-10(9-13)8-12(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyWGBCFTVOHAGGKY-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.23
Rot. Bonds3

About 2-methyl-3-(N-methylanilino)prop-2-enal

2-methyl-3-(N-methylanilino)prop-2-enal (PubChem CID 174849182) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methyl-3-(N-methylanilino)prop-2-enal.

Molecular Properties

Compound Name2-methyl-3-(N-methylanilino)prop-2-enal
PubChem CID174849182
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methyl-3-(N-methylanilino)prop-2-enal
SMILESCC(C=O)=CN(C)c1ccccc1
InChIInChI=1S/C11H13NO/c1-10(9-13)8-12(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyWGBCFTVOHAGGKY-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.23
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-methyl-3-(N-methylanilino)prop-2-enal?
The IUPAC name of 2-methyl-3-(N-methylanilino)prop-2-enal (CID 174849182) is 2-methyl-3-(N-methylanilino)prop-2-enal.
What is the SMILES notation for 2-methyl-3-(N-methylanilino)prop-2-enal?
The canonical SMILES for 2-methyl-3-(N-methylanilino)prop-2-enal is CC(C=O)=CN(C)c1ccccc1.
What is the InChIKey of 2-methyl-3-(N-methylanilino)prop-2-enal?
The InChIKey is WGBCFTVOHAGGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-10(9-13)8-12(2)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 2-methyl-3-(N-methylanilino)prop-2-enal?
2-methyl-3-(N-methylanilino)prop-2-enal has a molecular weight of 175.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(N-methylanilino)prop-2-enal is sourced from PubChem (CID 174849182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).