7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one

C13H14O — CID 115010920

IUPAC7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
SMILESCc1ccc2c(c1)C1(CC1)C(=O)CC2
InChIInChI=1S/C13H14O/c1-9-2-3-10-4-5-12(14)13(6-7-13)11(10)8-9/h2-3,8H,4-7H2,1H3
InChIKeyWUKFWWQCYSHLOU-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.54
Rot. Bonds

About 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one

7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one (PubChem CID 115010920) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
PubChem CID115010920
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
SMILESCc1ccc2c(c1)C1(CC1)C(=O)CC2
InChIInChI=1S/C13H14O/c1-9-2-3-10-4-5-12(14)13(6-7-13)11(10)8-9/h2-3,8H,4-7H2,1H3
InChIKeyWUKFWWQCYSHLOU-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one?
The IUPAC name of 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one (CID 115010920) is 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one.
What is the SMILES notation for 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one?
The canonical SMILES for 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one is Cc1ccc2c(c1)C1(CC1)C(=O)CC2.
What is the InChIKey of 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one?
The InChIKey is WUKFWWQCYSHLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-2-3-10-4-5-12(14)13(6-7-13)11(10)8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one?
7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one has a molecular weight of 186.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one is sourced from PubChem (CID 115010920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).