(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one

C10H16O — CID 97304979

IUPAC(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one
SMILESCC(C)[C@]12CC[C@@H](C)[C@H]1C2=O
InChIInChI=1S/C10H16O/c1-6(2)10-5-4-7(3)8(10)9(10)11/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
InChIKeyRDCZUQXEQPVRFZ-KHQFGBGNSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds1

About (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one

(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one (PubChem CID 97304979) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one.

Molecular Properties

Compound Name(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one
PubChem CID97304979
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one
SMILESCC(C)[C@]12CC[C@@H](C)[C@H]1C2=O
InChIInChI=1S/C10H16O/c1-6(2)10-5-4-7(3)8(10)9(10)11/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
InChIKeyRDCZUQXEQPVRFZ-KHQFGBGNSA-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

2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
(3aS,6aR)-4,6a-dimethyl-2,3-di(propan-2-yloxy)-3a,4,5,6-tetrahydropentalen-1-one
CID 10611821
(4R,4aR,7S,7aS)-4a-amino-4,7-dimethyl-3,4,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-one
CID 143435963
(1S,2S,3S,6S)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxy-8-methyl-6-propan-2-ylbicyclo[4.2.0]octan-7-one
CID 57261658
3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
(5R,8S,8aS)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4,6,7,8,8a-hexahydroazulen-2-one
CID 163108945
1,4,7-trimethylbicyclo[3.2.1]oct-6-en-8-one
CID 121221889
4,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66108263
1-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 158344420
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one?
The IUPAC name of (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one (CID 97304979) is (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one.
What is the SMILES notation for (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one?
The canonical SMILES for (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one is CC(C)[C@]12CC[C@@H](C)[C@H]1C2=O.
What is the InChIKey of (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one?
The InChIKey is RDCZUQXEQPVRFZ-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)10-5-4-7(3)8(10)9(10)11/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1.
What are the key properties of (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one?
(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-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 (1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one is sourced from PubChem (CID 97304979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).