1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone

C16H20O — CID 142003178

IUPAC1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone
SMILESCC(=O)C1(C)C=CC=C2C(=C1)CCCC21CC1
InChIInChI=1S/C16H20O/c1-12(17)15(2)7-4-6-14-13(11-15)5-3-8-16(14)9-10-16/h4,6-7,11H,3,5,8-10H2,1-2H3
InChIKeyREKZTKMRCPPYKM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.97
Rot. Bonds1

About 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone

1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone (PubChem CID 142003178) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone.

Molecular Properties

Compound Name1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone
PubChem CID142003178
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone
SMILESCC(=O)C1(C)C=CC=C2C(=C1)CCCC21CC1
InChIInChI=1S/C16H20O/c1-12(17)15(2)7-4-6-14-13(11-15)5-3-8-16(14)9-10-16/h4,6-7,11H,3,5,8-10H2,1-2H3
InChIKeyREKZTKMRCPPYKM-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone with MolForge

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Related Compounds

1-(5-methyl-2,3-dihydro-1H-azulen-5-yl)ethanone
CID 142234797
5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide
CID 143019432
1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
CID 13429439
8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
CID 143347512
1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethanone
CID 13227637
6-hydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
CID 15264449
[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate
CID 172916456
3-methylbicyclo[3.3.1]non-4-ene-1,3-diol
CID 123281164
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
5,5,9-trimethylspiro[2.6]nona-6,8-diene
CID 86017619
1-methyl-2-propan-2-ylidenecyclopentane-1-carboxylic acid
CID 118389135
1-(6,6-dimethylpyran-2-yl)ethanone
CID 130031431

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone?
The IUPAC name of 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone (CID 142003178) is 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone.
What is the SMILES notation for 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone?
The canonical SMILES for 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone is CC(=O)C1(C)C=CC=C2C(=C1)CCCC21CC1.
What is the InChIKey of 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone?
The InChIKey is REKZTKMRCPPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-12(17)15(2)7-4-6-14-13(11-15)5-3-8-16(14)9-10-16/h4,6-7,11H,3,5,8-10H2,1-2H3.
What are the key properties of 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone?
1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone has a molecular weight of 228.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylspiro[3,4-dihydro-2H-benzo[7]annulene-1,1'-cyclopropane]-6-yl)ethanone is sourced from PubChem (CID 142003178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).