4-(prop-2-enylamino)benzaldehyde

C10H11NO — CID 13020046

IUPAC4-(prop-2-enylamino)benzaldehyde
SMILESC=CCNc1ccc(C=O)cc1
InChIInChI=1S/C10H11NO/c1-2-7-11-10-5-3-9(8-12)4-6-10/h2-6,8,11H,1,7H2
InChIKeyFABJEXDZMQLPNK-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.10
Rot. Bonds4

About 4-(prop-2-enylamino)benzaldehyde

4-(prop-2-enylamino)benzaldehyde (PubChem CID 13020046) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(prop-2-enylamino)benzaldehyde.

Molecular Properties

Compound Name4-(prop-2-enylamino)benzaldehyde
PubChem CID13020046
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-(prop-2-enylamino)benzaldehyde
SMILESC=CCNc1ccc(C=O)cc1
InChIInChI=1S/C10H11NO/c1-2-7-11-10-5-3-9(8-12)4-6-10/h2-6,8,11H,1,7H2
InChIKeyFABJEXDZMQLPNK-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(prop-2-enylamino)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-N-prop-2-enylaniline
CID 62140116
N-(4-formylphenyl)but-3-enamide
CID 142510252
N,4-bis(prop-2-enyl)aniline
CID 68976817
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
CID 112980149
4-(2,2-dihydroxyethylamino)benzaldehyde
CID 141051359
2-(4-formylanilino)acetic acid
CID 21163243
3-[4-(prop-2-enylamino)phenyl]propanoic acid
CID 21163444
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
4-(nonadecylamino)benzaldehyde
CID 20556317
N-(4-formylphenyl)formamide
CID 15314216

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylamino)benzaldehyde?
The IUPAC name of 4-(prop-2-enylamino)benzaldehyde (CID 13020046) is 4-(prop-2-enylamino)benzaldehyde.
What is the SMILES notation for 4-(prop-2-enylamino)benzaldehyde?
The canonical SMILES for 4-(prop-2-enylamino)benzaldehyde is C=CCNc1ccc(C=O)cc1.
What is the InChIKey of 4-(prop-2-enylamino)benzaldehyde?
The InChIKey is FABJEXDZMQLPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-7-11-10-5-3-9(8-12)4-6-10/h2-6,8,11H,1,7H2.
What are the key properties of 4-(prop-2-enylamino)benzaldehyde?
4-(prop-2-enylamino)benzaldehyde has a molecular weight of 161.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)benzaldehyde is sourced from PubChem (CID 13020046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).