2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide

C10H17NO — CID 10329688

IUPAC2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1CC(C)C2C(C1)C2C(N)=O
InChIInChI=1S/C10H17NO/c1-5-3-6(2)8-7(4-5)9(8)10(11)12/h5-9H,3-4H2,1-2H3,(H2,11,12)
InChIKeyRKOFCGTUAIRUJE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.40
Rot. Bonds1

About 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide

2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 10329688) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID10329688
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1CC(C)C2C(C1)C2C(N)=O
InChIInChI=1S/C10H17NO/c1-5-3-6(2)8-7(4-5)9(8)10(11)12/h5-9H,3-4H2,1-2H3,(H2,11,12)
InChIKeyRKOFCGTUAIRUJE-UHFFFAOYSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide (CID 10329688) is 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide is CC1CC(C)C2C(C1)C2C(N)=O.
What is the InChIKey of 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RKOFCGTUAIRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-3-6(2)8-7(4-5)9(8)10(11)12/h5-9H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide?
2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 10329688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).