(1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione

C18H29NO3 — CID 46186841

IUPAC(1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione
SMILESCC(C)C1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@](C)(CN(C)C)C1(C)C2=O
InChIInChI=1S/C18H29NO3/c1-10(2)12-13-11-7-8-17(3,9-19(5)6)18(11,4)15(20)14(12)22-16(13)21/h10-14H,7-9H2,1-6H3/t11-,12?,13+,14+,17+,18?/m0/s1
InChIKeyOEJXMOMPWKYSNQ-VODQBCQISA-N
MW307.43 g/mol
LogP2.37
Rot. Bonds3

About (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione

(1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione (PubChem CID 46186841) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione.

Molecular Properties

Compound Name(1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione
PubChem CID46186841
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione
SMILESCC(C)C1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@](C)(CN(C)C)C1(C)C2=O
InChIInChI=1S/C18H29NO3/c1-10(2)12-13-11-7-8-17(3,9-19(5)6)18(11,4)15(20)14(12)22-16(13)21/h10-14H,7-9H2,1-6H3/t11-,12?,13+,14+,17+,18?/m0/s1
InChIKeyOEJXMOMPWKYSNQ-VODQBCQISA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione?
The IUPAC name of (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione (CID 46186841) is (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione.
What is the SMILES notation for (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione?
The canonical SMILES for (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione is CC(C)C1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@](C)(CN(C)C)C1(C)C2=O.
What is the InChIKey of (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione?
The InChIKey is OEJXMOMPWKYSNQ-VODQBCQISA-N. The full InChI is InChI=1S/C18H29NO3/c1-10(2)12-13-11-7-8-17(3,9-19(5)6)18(11,4)15(20)14(12)22-16(13)21/h10-14H,7-9H2,1-6H3/t11-,12?,13+,14+,17+,18?/m0/s1.
What are the key properties of (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione?
(1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione has a molecular weight of 307.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,8R)-5-[(dimethylamino)methyl]-5,6-dimethyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione is sourced from PubChem (CID 46186841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).