(1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide

C12H17NO3 — CID 139085766

IUPAC(1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide
SMILESC[C@@]12OC(=O)C[C@]1(C)[C@H]1CC[C@]2(C(N)=O)C1
InChIInChI=1S/C12H17NO3/c1-10-6-8(14)16-11(10,2)12(9(13)15)4-3-7(10)5-12/h7H,3-6H2,1-2H3,(H2,13,15)/t7-,10+,11+,12+/m0/s1
InChIKeyGWVYDERLPQNGBW-FZVWWSIASA-N
MW223.27 g/mol
LogP0.98
Rot. Bonds1

About (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide

(1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide (PubChem CID 139085766) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide
PubChem CID139085766
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide
SMILESC[C@@]12OC(=O)C[C@]1(C)[C@H]1CC[C@]2(C(N)=O)C1
InChIInChI=1S/C12H17NO3/c1-10-6-8(14)16-11(10,2)12(9(13)15)4-3-7(10)5-12/h7H,3-6H2,1-2H3,(H2,13,15)/t7-,10+,11+,12+/m0/s1
InChIKeyGWVYDERLPQNGBW-FZVWWSIASA-N
XLogP0.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide with MolForge

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Related Compounds

2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
CID 140831837
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CID 141095062
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332
2-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-4-yl]acetic acid
CID 99985601
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 98095665
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556
(1S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 45108301
(1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 98048244
(1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6544486
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide?
The IUPAC name of (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide (CID 139085766) is (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide.
What is the SMILES notation for (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide?
The canonical SMILES for (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide is C[C@@]12OC(=O)C[C@]1(C)[C@H]1CC[C@]2(C(N)=O)C1.
What is the InChIKey of (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide?
The InChIKey is GWVYDERLPQNGBW-FZVWWSIASA-N. The full InChI is InChI=1S/C12H17NO3/c1-10-6-8(14)16-11(10,2)12(9(13)15)4-3-7(10)5-12/h7H,3-6H2,1-2H3,(H2,13,15)/t7-,10+,11+,12+/m0/s1.
What are the key properties of (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide?
(1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-2,6-dimethyl-4-oxo-3-oxatricyclo[5.2.1.02,6]decane-1-carboxamide is sourced from PubChem (CID 139085766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).