1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone

C10H14O — CID 91374956

IUPAC1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC(C)CC1
InChIInChI=1S/C10H14O/c1-8-4-3-5-10(7-6-8)9(2)11/h3-5,8H,6-7H2,1-2H3
InChIKeyFHNQHCMTKBYJGG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds1

About 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone

1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone (PubChem CID 91374956) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
PubChem CID91374956
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC(C)CC1
InChIInChI=1S/C10H14O/c1-8-4-3-5-10(7-6-8)9(2)11/h3-5,8H,6-7H2,1-2H3
InChIKeyFHNQHCMTKBYJGG-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12567210
3-methylcyclopentene-1-carboxylic acid
CID 12779737
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CID 11378812
carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron
CID 14788585
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
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CID 11043549
ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone
CID 143443539
N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide
CID 143726792
5-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
CID 143494937
1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone
CID 163497893
4-acetyl-1,3-dihydroazepin-2-one
CID 13253304
4-acetylcyclohex-3-ene-1-carbaldehyde
CID 13170150

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone?
The IUPAC name of 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone (CID 91374956) is 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone.
What is the SMILES notation for 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone?
The canonical SMILES for 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone is CC(=O)C1=CC=CC(C)CC1.
What is the InChIKey of 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone?
The InChIKey is FHNQHCMTKBYJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-4-3-5-10(7-6-8)9(2)11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone?
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone has a molecular weight of 150.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 91374956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).