3-methyl-2-prop-1-enylcyclohex-2-en-1-one

C10H14O — CID 123373208

IUPAC3-methyl-2-prop-1-enylcyclohex-2-en-1-one
SMILESCC=CC1=C(C)CCCC1=O
InChIInChI=1S/C10H14O/c1-3-5-9-8(2)6-4-7-10(9)11/h3,5H,4,6-7H2,1-2H3
InChIKeyWIPHTGUMXXPZNU-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.63
Rot. Bonds1

About 3-methyl-2-prop-1-enylcyclohex-2-en-1-one

3-methyl-2-prop-1-enylcyclohex-2-en-1-one (PubChem CID 123373208) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-2-prop-1-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-prop-1-enylcyclohex-2-en-1-one
PubChem CID123373208
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methyl-2-prop-1-enylcyclohex-2-en-1-one
SMILESCC=CC1=C(C)CCCC1=O
InChIInChI=1S/C10H14O/c1-3-5-9-8(2)6-4-7-10(9)11/h3,5H,4,6-7H2,1-2H3
InChIKeyWIPHTGUMXXPZNU-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
CID 143302043
2-chloro-3-methylcyclohex-2-en-1-one
CID 11137294
2-iodo-3-methylcyclohept-2-en-1-one
CID 11770818
3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one
CID 12856960
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896
3-chloro-1-methyl-2-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 167200063
4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione
CID 145410963
3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane
CID 144723726
1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one
CID 91192973
methyl (E)-3-(2-methoxy-6-oxocyclohexen-1-yl)prop-2-enoate
CID 11074653
1,2-dimethylcyclopentene;molecular fluorine
CID 157100565
2-hydroxy-6-oxocyclohexene-1-carbothialdehyde
CID 135997825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-1-enylcyclohex-2-en-1-one?
The IUPAC name of 3-methyl-2-prop-1-enylcyclohex-2-en-1-one (CID 123373208) is 3-methyl-2-prop-1-enylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methyl-2-prop-1-enylcyclohex-2-en-1-one?
The canonical SMILES for 3-methyl-2-prop-1-enylcyclohex-2-en-1-one is CC=CC1=C(C)CCCC1=O.
What is the InChIKey of 3-methyl-2-prop-1-enylcyclohex-2-en-1-one?
The InChIKey is WIPHTGUMXXPZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-9-8(2)6-4-7-10(9)11/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 3-methyl-2-prop-1-enylcyclohex-2-en-1-one?
3-methyl-2-prop-1-enylcyclohex-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-1-enylcyclohex-2-en-1-one is sourced from PubChem (CID 123373208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).