1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one

C14H22O — CID 14818318

IUPAC1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
SMILESCC12CCC(C3(CCCC3)C1=O)C2(C)C
InChIInChI=1S/C14H22O/c1-12(2)10-6-9-13(12,3)11(15)14(10)7-4-5-8-14/h10H,4-9H2,1-3H3
InChIKeyZURABCSOVBIFTR-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds

About 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one

1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one (PubChem CID 14818318) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
PubChem CID14818318
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
SMILESCC12CCC(C3(CCCC3)C1=O)C2(C)C
InChIInChI=1S/C14H22O/c1-12(2)10-6-9-13(12,3)11(15)14(10)7-4-5-8-14/h10H,4-9H2,1-3H3
InChIKeyZURABCSOVBIFTR-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
The IUPAC name of 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one (CID 14818318) is 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
The canonical SMILES for 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one is CC12CCC(C3(CCCC3)C1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
The InChIKey is ZURABCSOVBIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)10-6-9-13(12,3)11(15)14(10)7-4-5-8-14/h10H,4-9H2,1-3H3.
What are the key properties of 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one has a molecular weight of 206.33 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 14818318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).