3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane

C13H26O — CID 160607365

IUPAC3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
SMILESC.C.C=CC1=C(C)C(=O)CC1.CCC
InChIInChI=1S/C8H10O.C3H8.2CH4/c1-3-7-4-5-8(9)6(7)2;1-3-2;;/h3H,1,4-5H2,2H3;3H2,1-2H3;2*1H4
InChIKeyRFAZOVZJWREXHD-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.54
Rot. Bonds1

About 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane

3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane (PubChem CID 160607365) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane.

Molecular Properties

Compound Name3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
PubChem CID160607365
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
SMILESC.C.C=CC1=C(C)C(=O)CC1.CCC
InChIInChI=1S/C8H10O.C3H8.2CH4/c1-3-7-4-5-8(9)6(7)2;1-3-2;;/h3H,1,4-5H2,2H3;3H2,1-2H3;2*1H4
InChIKeyRFAZOVZJWREXHD-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-2-pentylcyclopent-2-en-1-one
CID 14411905
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
3-but-3-enyl-2-methylcyclopent-2-en-1-one
CID 10261250
3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one
CID 130413027
3-hex-5-enyl-2-methylcyclopent-2-en-1-one
CID 71327503
2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
CID 143302043
3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one
CID 91071913
3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
CID 130792829
2-but-3-enyl-3-methylcyclopent-2-en-1-one
CID 13024689
1-ethenyl-2-methylcyclopentene
CID 123848216
2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 24747264
2-methoxy-3-methylcyclohex-2-ene-1,4-dione
CID 5314614

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane?
The IUPAC name of 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane (CID 160607365) is 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane.
What is the SMILES notation for 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane?
The canonical SMILES for 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane is C.C.C=CC1=C(C)C(=O)CC1.CCC.
What is the InChIKey of 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane?
The InChIKey is RFAZOVZJWREXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H8.2CH4/c1-3-7-4-5-8(9)6(7)2;1-3-2;;/h3H,1,4-5H2,2H3;3H2,1-2H3;2*1H4.
What are the key properties of 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane?
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane has a molecular weight of 198.35 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane is sourced from PubChem (CID 160607365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).