N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide

C13H15NO2 — CID 141293137

IUPACN-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1=CC=C2C=CC=C21
InChIInChI=1S/C13H15NO2/c1-13(2,8-15)14-12(16)11-7-6-9-4-3-5-10(9)11/h3-7,15H,8H2,1-2H3,(H,14,16)
InChIKeyCUTJOFILLNRVQR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.24
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide (PubChem CID 141293137) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide
PubChem CID141293137
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1=CC=C2C=CC=C21
InChIInChI=1S/C13H15NO2/c1-13(2,8-15)14-12(16)11-7-6-9-4-3-5-10(9)11/h3-7,15H,8H2,1-2H3,(H,14,16)
InChIKeyCUTJOFILLNRVQR-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide (CID 141293137) is N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide is CC(C)(CO)NC(=O)C1=CC=C2C=CC=C21.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide?
The InChIKey is CUTJOFILLNRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,8-15)14-12(16)11-7-6-9-4-3-5-10(9)11/h3-7,15H,8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)pentalene-1-carboxamide is sourced from PubChem (CID 141293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).