3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide

C13H21NO — CID 128518469

IUPAC3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1CC(NC(=O)C2(C)CC3CC3C2)C1
InChIInChI=1S/C13H21NO/c1-8-3-11(4-8)14-12(15)13(2)6-9-5-10(9)7-13/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeySCAPWDAVCYTTBZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds2

About 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide

3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 128518469) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID128518469
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1CC(NC(=O)C2(C)CC3CC3C2)C1
InChIInChI=1S/C13H21NO/c1-8-3-11(4-8)14-12(15)13(2)6-9-5-10(9)7-13/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeySCAPWDAVCYTTBZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 128518469) is 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide is CC1CC(NC(=O)C2(C)CC3CC3C2)C1.
What is the InChIKey of 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SCAPWDAVCYTTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8-3-11(4-8)14-12(15)13(2)6-9-5-10(9)7-13/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 128518469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).