(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one

C12H18O — CID 67963159

IUPAC(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one
SMILESC[C@]12CC3CC1CCCC(=O)C3C2
InChIInChI=1S/C12H18O/c1-12-6-8-5-9(12)3-2-4-11(13)10(8)7-12/h8-10H,2-7H2,1H3/t8?,9?,10?,12-/m1/s1
InChIKeyZNRSQRGVFGKSFI-FUNUNJKWSA-N
MW178.27 g/mol
LogP2.79
Rot. Bonds

About (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one

(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one (PubChem CID 67963159) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one.

Molecular Properties

Compound Name(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one
PubChem CID67963159
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one
SMILESC[C@]12CC3CC1CCCC(=O)C3C2
InChIInChI=1S/C12H18O/c1-12-6-8-5-9(12)3-2-4-11(13)10(8)7-12/h8-10H,2-7H2,1H3/t8?,9?,10?,12-/m1/s1
InChIKeyZNRSQRGVFGKSFI-FUNUNJKWSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-one
CID 55301354
10,10-dimethylbicyclo[7.2.0]undecan-2-one
CID 91392358
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
bicyclo[13.1.0]hexadecan-2-one
CID 543951
(2S)-2-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 23309661
2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
CID 114621794
2-(3,4-dimethylcyclohexyl)cyclopentan-1-one
CID 64737860
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
(1S,11R,13R)-14,14-dimethyl-10-oxatetracyclo[11.1.1.02,11.04,9]pentadecan-5-one
CID 44556815
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one?
The IUPAC name of (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one (CID 67963159) is (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one.
What is the SMILES notation for (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one?
The canonical SMILES for (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one is C[C@]12CC3CC1CCCC(=O)C3C2.
What is the InChIKey of (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one?
The InChIKey is ZNRSQRGVFGKSFI-FUNUNJKWSA-N. The full InChI is InChI=1S/C12H18O/c1-12-6-8-5-9(12)3-2-4-11(13)10(8)7-12/h8-10H,2-7H2,1H3/t8?,9?,10?,12-/m1/s1.
What are the key properties of (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one?
(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one has a molecular weight of 178.27 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one is sourced from PubChem (CID 67963159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).