7,7-dimethylspiro[2.5]octane-2-carboxamide

C11H19NO — CID 91525320

IUPAC7,7-dimethylspiro[2.5]octane-2-carboxamide
SMILESCC1(C)CCCC2(CC2C(N)=O)C1
InChIInChI=1S/C11H19NO/c1-10(2)4-3-5-11(7-10)6-8(11)9(12)13/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDPEZHKNGLHZXSR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.08
Rot. Bonds1

About 7,7-dimethylspiro[2.5]octane-2-carboxamide

7,7-dimethylspiro[2.5]octane-2-carboxamide (PubChem CID 91525320) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 7,7-dimethylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name7,7-dimethylspiro[2.5]octane-2-carboxamide
PubChem CID91525320
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name7,7-dimethylspiro[2.5]octane-2-carboxamide
SMILESCC1(C)CCCC2(CC2C(N)=O)C1
InChIInChI=1S/C11H19NO/c1-10(2)4-3-5-11(7-10)6-8(11)9(12)13/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDPEZHKNGLHZXSR-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-oxaspiro[2.5]octane-2-carboxamide
CID 170549524
(7R)-spiro[2.4]heptane-7-carboxamide
CID 125434800
6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 151058381
8-azaspiro[4.5]decane-4-carboxamide
CID 69178450
7,7,9-trimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 114487107
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
1-amino-4,4-dimethylcycloheptane-1-carboxamide
CID 65088095
2,6,6-trimethylcycloheptane-1-carboxamide
CID 86737466
3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride
CID 123734463
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide
CID 840558
4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
CID 90243249

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylspiro[2.5]octane-2-carboxamide?
The IUPAC name of 7,7-dimethylspiro[2.5]octane-2-carboxamide (CID 91525320) is 7,7-dimethylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 7,7-dimethylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 7,7-dimethylspiro[2.5]octane-2-carboxamide is CC1(C)CCCC2(CC2C(N)=O)C1.
What is the InChIKey of 7,7-dimethylspiro[2.5]octane-2-carboxamide?
The InChIKey is DPEZHKNGLHZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)4-3-5-11(7-10)6-8(11)9(12)13/h8H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 7,7-dimethylspiro[2.5]octane-2-carboxamide?
7,7-dimethylspiro[2.5]octane-2-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 91525320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).