2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide

C8H13NO — CID 140831837

IUPAC2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC1(C)C2CC1(C(N)=O)C2
InChIInChI=1S/C8H13NO/c1-7(2)5-3-8(7,4-5)6(9)10/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyWYNOYAZDPZFUNM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.91
Rot. Bonds1

About 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide

2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 140831837) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID140831837
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC1(C)C2CC1(C(N)=O)C2
InChIInChI=1S/C8H13NO/c1-7(2)5-3-8(7,4-5)6(9)10/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyWYNOYAZDPZFUNM-UHFFFAOYSA-N
XLogP0.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 141095062
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(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
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ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
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acetic acid;guanidine;1,7,7-trimethylbicyclo[2.2.1]heptane
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide (CID 140831837) is 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide is CC1(C)C2CC1(C(N)=O)C2.
What is the InChIKey of 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is WYNOYAZDPZFUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)5-3-8(7,4-5)6(9)10/h5H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 140831837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).