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

C9H15NO — CID 146427466

IUPACN-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)NC(=O)C12CC(C1)C2
InChIInChI=1S/C9H15NO/c1-6(2)10-8(11)9-3-7(4-9)5-9/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyYMKVGTJXXOSDQR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.31
Rot. Bonds2

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

N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 146427466) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID146427466
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)NC(=O)C12CC(C1)C2
InChIInChI=1S/C9H15NO/c1-6(2)10-8(11)9-3-7(4-9)5-9/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyYMKVGTJXXOSDQR-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
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N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
CID 7149964
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
N-(1-cyanopropan-2-yl)adamantane-1-carboxamide
CID 55032517
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 3344892
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide (CID 146427466) is N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide is CC(C)NC(=O)C12CC(C1)C2.
What is the InChIKey of N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is YMKVGTJXXOSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)10-8(11)9-3-7(4-9)5-9/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 146427466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).