N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide

C14H17NO2 — CID 177101617

IUPACN-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide
SMILESCC(C)c1ccc(C=O)c(NC(=O)C2CC2)c1
InChIInChI=1S/C14H17NO2/c1-9(2)11-5-6-12(8-16)13(7-11)15-14(17)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,15,17)
InChIKeyZQIJCHNXGXWTOB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.97
Rot. Bonds4

About N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide

N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide (PubChem CID 177101617) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide
PubChem CID177101617
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide
SMILESCC(C)c1ccc(C=O)c(NC(=O)C2CC2)c1
InChIInChI=1S/C14H17NO2/c1-9(2)11-5-6-12(8-16)13(7-11)15-14(17)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,15,17)
InChIKeyZQIJCHNXGXWTOB-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide (CID 177101617) is N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide is CC(C)c1ccc(C=O)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide?
The InChIKey is ZQIJCHNXGXWTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)11-5-6-12(8-16)13(7-11)15-14(17)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide?
N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 177101617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).