(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

C10H16O — CID 57468135

IUPAC(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC(C)[C@]12CC(=O)[C@H](C)C1C2
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8?,10+/m1/s1
InChIKeyUSMNOWBWPHYOEA-SHTILUHOSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds1

About (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (PubChem CID 57468135) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
PubChem CID57468135
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILESCC(C)[C@]12CC(=O)[C@H](C)C1C2
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8?,10+/m1/s1
InChIKeyUSMNOWBWPHYOEA-SHTILUHOSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 59390116
ethanol;(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one;bis(2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol);(4-propan-2-ylphenyl)methanol;bis((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 173165066
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
(1R,4R,5R)-4-methyl-1-phenylbicyclo[3.1.0]hexan-3-one
CID 102073456
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 91753443
(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine
CID 130846669
(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
CID 166500332
(1S,2R,4R)-2-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 101118192
(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one
CID 11480629
(1S,4R,5S)-1,4-dimethylbicyclo[3.2.1]octan-3-one
CID 124563688
(1S,4S,5R)-3,3-dihydroperoxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 125475030

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (CID 57468135) is (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one is CC(C)[C@]12CC(=O)[C@H](C)C1C2.
What is the InChIKey of (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
The InChIKey is USMNOWBWPHYOEA-SHTILUHOSA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8?,10+/m1/s1.
What are the key properties of (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?
(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one has a molecular weight of 152.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 57468135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).