(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one

C10H16O — CID 10654411

IUPAC(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
SMILESC[C@@H]1CCC[C@H]2C[C@H]2C(=O)C1
InChIInChI=1S/C10H16O/c1-7-3-2-4-8-6-9(8)10(11)5-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyFQGVDGQOEFIYQI-HRDYMLBCSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds

About (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one

(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one (PubChem CID 10654411) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one.

Molecular Properties

Compound Name(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
PubChem CID10654411
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
SMILESC[C@@H]1CCC[C@H]2C[C@H]2C(=O)C1
InChIInChI=1S/C10H16O/c1-7-3-2-4-8-6-9(8)10(11)5-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyFQGVDGQOEFIYQI-HRDYMLBCSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
3-(3-methylcyclohexyl)oxolane-2,5-dione
CID 87723584
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
bicyclo[13.1.0]hexadecan-2-one
CID 543951
6-methyl-2-(trifluoromethyl)cycloheptan-1-one
CID 102394139
3-methylbicyclo[3.2.0]heptan-6-one;molecular hydrogen;hydrobromide
CID 143732119
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
CID 58165389
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
20-hydroxy-3,18-dimethylcycloicos-10-en-1-one
CID 67314307
5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
CID 66106098

Frequently Asked Questions

What is the IUPAC name of (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one?
The IUPAC name of (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one (CID 10654411) is (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one.
What is the SMILES notation for (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one?
The canonical SMILES for (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one is C[C@@H]1CCC[C@H]2C[C@H]2C(=O)C1.
What is the InChIKey of (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one?
The InChIKey is FQGVDGQOEFIYQI-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H16O/c1-7-3-2-4-8-6-9(8)10(11)5-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one?
(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one is sourced from PubChem (CID 10654411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).