N-(propan-2-ylideneamino)benzamide

C10H12N2O — CID 18868

IUPACN-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)
InChIKeySSEYDGGXERWOIC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.81
Rot. Bonds2

About N-(propan-2-ylideneamino)benzamide

N-(propan-2-ylideneamino)benzamide (PubChem CID 18868) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)benzamide
PubChem CID18868
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)
InChIKeySSEYDGGXERWOIC-UHFFFAOYSA-N
XLogP1.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)benzamide?
The IUPAC name of N-(propan-2-ylideneamino)benzamide (CID 18868) is N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for N-(propan-2-ylideneamino)benzamide is CC(C)=NNC(=O)c1ccccc1.
What is the InChIKey of N-(propan-2-ylideneamino)benzamide?
The InChIKey is SSEYDGGXERWOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(propan-2-ylideneamino)benzamide?
N-(propan-2-ylideneamino)benzamide has a molecular weight of 176.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 18868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).