2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide

C12H19NO — CID 10375351

IUPAC2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide
SMILESCC1(C)C2CC3C(C(N)=O)C3(C)C1C2
InChIInChI=1S/C12H19NO/c1-11(2)6-4-7-9(10(13)14)12(7,3)8(11)5-6/h6-9H,4-5H2,1-3H3,(H2,13,14)
InChIKeyNHLYOIUCJSYQOS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds1

About 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide

2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide (PubChem CID 10375351) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide
PubChem CID10375351
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide
SMILESCC1(C)C2CC3C(C(N)=O)C3(C)C1C2
InChIInChI=1S/C12H19NO/c1-11(2)6-4-7-9(10(13)14)12(7,3)8(11)5-6/h6-9H,4-5H2,1-3H3,(H2,13,14)
InChIKeyNHLYOIUCJSYQOS-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide?
The IUPAC name of 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide (CID 10375351) is 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide.
What is the SMILES notation for 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide?
The canonical SMILES for 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide is CC1(C)C2CC3C(C(N)=O)C3(C)C1C2.
What is the InChIKey of 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide?
The InChIKey is NHLYOIUCJSYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2)6-4-7-9(10(13)14)12(7,3)8(11)5-6/h6-9H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide?
2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 10375351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).