methane;1-methylbicyclo[3.1.0]hexan-3-one

C8H14O — CID 161056002

IUPACmethane;1-methylbicyclo[3.1.0]hexan-3-one
SMILESC.CC12CC(=O)CC1C2
InChIInChI=1S/C7H10O.CH4/c1-7-3-5(7)2-6(8)4-7;/h5H,2-4H2,1H3;1H4
InChIKeyUCTIRSQSBGHRGI-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds

About methane;1-methylbicyclo[3.1.0]hexan-3-one

methane;1-methylbicyclo[3.1.0]hexan-3-one (PubChem CID 161056002) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is methane;1-methylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Namemethane;1-methylbicyclo[3.1.0]hexan-3-one
PubChem CID161056002
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namemethane;1-methylbicyclo[3.1.0]hexan-3-one
SMILESC.CC12CC(=O)CC1C2
InChIInChI=1S/C7H10O.CH4/c1-7-3-5(7)2-6(8)4-7;/h5H,2-4H2,1H3;1H4
InChIKeyUCTIRSQSBGHRGI-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90931570
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CID 11086779
(1'S,3'R,7'R,10'R,12'S,16'S)-7',16'-dimethylspiro[1,3-dithiolane-2,5'-tetracyclo[8.7.0.03,7.012,16]heptadecane]-14'-one
CID 155808320
6-ethyl-1,2,2-trimethylpiperidin-4-one
CID 89297596
4,6a-dimethyl-5-methylidene-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 20645018
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CID 78035523
(3aR,7R,7aS)-7,7a-dimethylspiro[1,3,3a,4,6,7-hexahydroindene-5,2'-1,3-dioxolane]-2-one
CID 15226618
(3aS,4S,7aR)-4-hydroxy-3a,5,5-trimethyl-1,3,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalen-2-one
CID 101067426
(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
CID 129413450
(6R)-2,2,6-trimethylcyclohexane-1,4-dione
CID 10176229
2,2,6-trimethylcyclohexane-1,4-dione
CID 30181
lithium;sodium;3-bromoprop-1-ene;butane;but-2-yn-1-ol;dichloroplatinum;hept-1-en-5-yn-4-ol;hydride;methane;1-methylbicyclo[3.1.0]hexan-3-one;1-prop-2-enoxybut-2-yne
CID 159999269

Frequently Asked Questions

What is the IUPAC name of methane;1-methylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of methane;1-methylbicyclo[3.1.0]hexan-3-one (CID 161056002) is methane;1-methylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for methane;1-methylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for methane;1-methylbicyclo[3.1.0]hexan-3-one is C.CC12CC(=O)CC1C2.
What is the InChIKey of methane;1-methylbicyclo[3.1.0]hexan-3-one?
The InChIKey is UCTIRSQSBGHRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.CH4/c1-7-3-5(7)2-6(8)4-7;/h5H,2-4H2,1H3;1H4.
What are the key properties of methane;1-methylbicyclo[3.1.0]hexan-3-one?
methane;1-methylbicyclo[3.1.0]hexan-3-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 161056002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).