[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride

C13H21ClN2O2 — CID 154911058

IUPAC[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCOC1)N1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C13H20N2O2.ClH/c16-13(8-3-4-17-7-8)15-11-1-2-12(15)10-6-14-5-9(10)11;/h8-12,14H,1-7H2;1H/t8?,9-,10+,11-,12+;
InChIKeyWVCQDMZRTQWZMZ-PVDWNHDJSA-N
MW272.78 g/mol
LogP0.65
Rot. Bonds1

About [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride

[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride (PubChem CID 154911058) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride
PubChem CID154911058
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCOC1)N1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C13H20N2O2.ClH/c16-13(8-3-4-17-7-8)15-11-1-2-12(15)10-6-14-5-9(10)11;/h8-12,14H,1-7H2;1H/t8?,9-,10+,11-,12+;
InChIKeyWVCQDMZRTQWZMZ-PVDWNHDJSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride 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

(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 63911588
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one
CID 116680683
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887
oxolan-3-yl(pyrrolidin-3-yl)methanone
CID 116568253
2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791448
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 66203292
(3S)-oxolane-3-carboxamide
CID 67048684
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride?
The IUPAC name of [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride (CID 154911058) is [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride.
What is the SMILES notation for [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride?
The canonical SMILES for [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride is Cl.O=C(C1CCOC1)N1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.
What is the InChIKey of [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride?
The InChIKey is WVCQDMZRTQWZMZ-PVDWNHDJSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c16-13(8-3-4-17-7-8)15-11-1-2-12(15)10-6-14-5-9(10)11;/h8-12,14H,1-7H2;1H/t8?,9-,10+,11-,12+;.
What are the key properties of [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride?
[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-(oxolan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 154911058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).