7-methylcyclohept-2-en-1-one

C8H12O — CID 11309509

IUPAC7-methylcyclohept-2-en-1-one
SMILESCC1CCCC=CC1=O
InChIInChI=1S/C8H12O/c1-7-5-3-2-4-6-8(7)9/h4,6-7H,2-3,5H2,1H3
InChIKeyPRZMEKFLGRFHKX-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds

About 7-methylcyclohept-2-en-1-one

7-methylcyclohept-2-en-1-one (PubChem CID 11309509) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 7-methylcyclohept-2-en-1-one.

Molecular Properties

Compound Name7-methylcyclohept-2-en-1-one
PubChem CID11309509
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name7-methylcyclohept-2-en-1-one
SMILESCC1CCCC=CC1=O
InChIInChI=1S/C8H12O/c1-7-5-3-2-4-6-8(7)9/h4,6-7H,2-3,5H2,1H3
InChIKeyPRZMEKFLGRFHKX-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7R)-7-methylcyclohept-2-en-1-one
CID 13297857
(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one
CID 143687335
7-butylcyclohept-2-en-1-one
CID 13297854
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
(1Z)-6-methylcyclononene
CID 22177377
6-propan-2-ylcyclohex-2-en-1-one
CID 12657624
(12S)-12-methyl-1-oxacyclododec-3-en-2-one
CID 154368626
(3E,14R)-14-methyl-1-oxacyclotetradec-3-en-2-one
CID 11127961
cyclohexyl-methyl-(2-oxocyclohex-3-en-1-yl)sulfanium
CID 23535095
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
1-methyl-3,4-dihydro-2H-azepin-7-one
CID 23402554
ethane;4-methylcycloheptene
CID 142851134

Frequently Asked Questions

What is the IUPAC name of 7-methylcyclohept-2-en-1-one?
The IUPAC name of 7-methylcyclohept-2-en-1-one (CID 11309509) is 7-methylcyclohept-2-en-1-one.
What is the SMILES notation for 7-methylcyclohept-2-en-1-one?
The canonical SMILES for 7-methylcyclohept-2-en-1-one is CC1CCCC=CC1=O.
What is the InChIKey of 7-methylcyclohept-2-en-1-one?
The InChIKey is PRZMEKFLGRFHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-5-3-2-4-6-8(7)9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 7-methylcyclohept-2-en-1-one?
7-methylcyclohept-2-en-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylcyclohept-2-en-1-one is sourced from PubChem (CID 11309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).