4-[methyl(prop-2-enyl)amino]benzaldehyde

C11H13NO — CID 71347762

IUPAC4-[methyl(prop-2-enyl)amino]benzaldehyde
SMILESC=CCN(C)c1ccc(C=O)cc1
InChIInChI=1S/C11H13NO/c1-3-8-12(2)11-6-4-10(9-13)5-7-11/h3-7,9H,1,8H2,2H3
InChIKeyRDRLAYWUPTZMIH-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.12
Rot. Bonds4

About 4-[methyl(prop-2-enyl)amino]benzaldehyde

4-[methyl(prop-2-enyl)amino]benzaldehyde (PubChem CID 71347762) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-[methyl(prop-2-enyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[methyl(prop-2-enyl)amino]benzaldehyde
PubChem CID71347762
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-[methyl(prop-2-enyl)amino]benzaldehyde
SMILESC=CCN(C)c1ccc(C=O)cc1
InChIInChI=1S/C11H13NO/c1-3-8-12(2)11-6-4-10(9-13)5-7-11/h3-7,9H,1,8H2,2H3
InChIKeyRDRLAYWUPTZMIH-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-2-enyl)amino]benzaldehyde?
The IUPAC name of 4-[methyl(prop-2-enyl)amino]benzaldehyde (CID 71347762) is 4-[methyl(prop-2-enyl)amino]benzaldehyde.
What is the SMILES notation for 4-[methyl(prop-2-enyl)amino]benzaldehyde?
The canonical SMILES for 4-[methyl(prop-2-enyl)amino]benzaldehyde is C=CCN(C)c1ccc(C=O)cc1.
What is the InChIKey of 4-[methyl(prop-2-enyl)amino]benzaldehyde?
The InChIKey is RDRLAYWUPTZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-12(2)11-6-4-10(9-13)5-7-11/h3-7,9H,1,8H2,2H3.
What are the key properties of 4-[methyl(prop-2-enyl)amino]benzaldehyde?
4-[methyl(prop-2-enyl)amino]benzaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-enyl)amino]benzaldehyde is sourced from PubChem (CID 71347762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).