N-tert-butylpentalene-1-carboxamide

C13H15NO — CID 141293001

IUPACN-tert-butylpentalene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CC=C2C=CC=C21
InChIInChI=1S/C13H15NO/c1-13(2,3)14-12(15)11-8-7-9-5-4-6-10(9)11/h4-8H,1-3H3,(H,14,15)
InChIKeyQNQLEPMSOYMGIQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.26
Rot. Bonds1

About N-tert-butylpentalene-1-carboxamide

N-tert-butylpentalene-1-carboxamide (PubChem CID 141293001) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-tert-butylpentalene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butylpentalene-1-carboxamide
PubChem CID141293001
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-tert-butylpentalene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CC=C2C=CC=C21
InChIInChI=1S/C13H15NO/c1-13(2,3)14-12(15)11-8-7-9-5-4-6-10(9)11/h4-8H,1-3H3,(H,14,15)
InChIKeyQNQLEPMSOYMGIQ-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butylcyclopentene-1-carboxamide
CID 15647929
N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292879
N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293031
N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293212
N-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 157608954
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
1,3-Cyclohexadiene-1-carboxylic acid t-butylamide
CID 53905999
N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide
CID 59861895
3-(2-Methylprop-2-enyl)pyrrole-2,5-dione
CID 69536456
3-But-3-enylpyrrole-2,5-dione
CID 90319462
3-Cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione
CID 90459869
(5S)-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]-1H-pyrrol-2-one
CID 118145402

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpentalene-1-carboxamide?
The IUPAC name of N-tert-butylpentalene-1-carboxamide (CID 141293001) is N-tert-butylpentalene-1-carboxamide.
What is the SMILES notation for N-tert-butylpentalene-1-carboxamide?
The canonical SMILES for N-tert-butylpentalene-1-carboxamide is CC(C)(C)NC(=O)C1=CC=C2C=CC=C21.
What is the InChIKey of N-tert-butylpentalene-1-carboxamide?
The InChIKey is QNQLEPMSOYMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)14-12(15)11-8-7-9-5-4-6-10(9)11/h4-8H,1-3H3,(H,14,15).
What are the key properties of N-tert-butylpentalene-1-carboxamide?
N-tert-butylpentalene-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpentalene-1-carboxamide is sourced from PubChem (CID 141293001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).