2-(propan-2-ylideneamino)benzaldehyde

C10H11NO — CID 135040375

IUPAC2-(propan-2-ylideneamino)benzaldehyde
SMILESCC(C)=Nc1ccccc1C=O
InChIInChI=1S/C10H11NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-7H,1-2H3
InChIKeyYIMZQNYTSGPGFV-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.61
Rot. Bonds2

About 2-(propan-2-ylideneamino)benzaldehyde

2-(propan-2-ylideneamino)benzaldehyde (PubChem CID 135040375) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)benzaldehyde.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)benzaldehyde
PubChem CID135040375
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(propan-2-ylideneamino)benzaldehyde
SMILESCC(C)=Nc1ccccc1C=O
InChIInChI=1S/C10H11NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-7H,1-2H3
InChIKeyYIMZQNYTSGPGFV-UHFFFAOYSA-N
XLogP2.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide
CID 135245106
2-(2-formylphenyl)-1-(4-formylphenyl)guanidine
CID 141046732
2,3-dihydroxybenzaldehyde
CID 159243971
3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
CID 158421076
CID 158421076
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-N'-(2-formylphenyl)-N-methylbutanimidamide
CID 144810666
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
dihydroxy(dioxo)chromium;phthalaldehyde
CID 174903240
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
2-hydroxy-3-methoxybenzaldehyde
CID 8991

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)benzaldehyde?
The IUPAC name of 2-(propan-2-ylideneamino)benzaldehyde (CID 135040375) is 2-(propan-2-ylideneamino)benzaldehyde.
What is the SMILES notation for 2-(propan-2-ylideneamino)benzaldehyde?
The canonical SMILES for 2-(propan-2-ylideneamino)benzaldehyde is CC(C)=Nc1ccccc1C=O.
What is the InChIKey of 2-(propan-2-ylideneamino)benzaldehyde?
The InChIKey is YIMZQNYTSGPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-7H,1-2H3.
What are the key properties of 2-(propan-2-ylideneamino)benzaldehyde?
2-(propan-2-ylideneamino)benzaldehyde has a molecular weight of 161.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)benzaldehyde is sourced from PubChem (CID 135040375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).