3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide

C9H15NO — CID 134598960

IUPAC3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)C12CC(C(N)=O)(C1)C2
InChIInChI=1S/C9H15NO/c1-6(2)8-3-9(4-8,5-8)7(10)11/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyMRCLQQVONJIRCN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.30
Rot. Bonds2

About 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide

3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 134598960) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID134598960
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)C12CC(C(N)=O)(C1)C2
InChIInChI=1S/C9H15NO/c1-6(2)8-3-9(4-8,5-8)7(10)11/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyMRCLQQVONJIRCN-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 167326775
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanol
CID 176865139
[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate
CID 170073789
4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide
CID 59462871
1-(3-propan-2-yl-1-adamantyl)propan-1-one
CID 12659808
potassium;hydride;1-propan-2-ylcyclohexane-1-carboxamide
CID 173332130
methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 178027632
3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 80706182
3-aminoadamantane-1-carboxamide
CID 67083536
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
cyclopentane;2-methylpropanamide
CID 142523492

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide (CID 134598960) is 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide is CC(C)C12CC(C(N)=O)(C1)C2.
What is the InChIKey of 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is MRCLQQVONJIRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)8-3-9(4-8,5-8)7(10)11/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 134598960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).