5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride

C10H17ClN2O — CID 3075224

IUPAC5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride
SMILESCC12CN3CN(C1)CC(C)(C3)C2=O.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11;/h3-7H2,1-2H3;1H
InChIKeyCTCJRNXVOYQUBP-UHFFFAOYSA-N
MW216.71 g/mol
LogP0.59
Rot. Bonds

About 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride

5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride (PubChem CID 3075224) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride
PubChem CID3075224
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride
SMILESCC12CN3CN(C1)CC(C)(C3)C2=O.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11;/h3-7H2,1-2H3;1H
InChIKeyCTCJRNXVOYQUBP-UHFFFAOYSA-N
XLogP0.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride?
The IUPAC name of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride (CID 3075224) is 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride.
What is the SMILES notation for 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride?
The canonical SMILES for 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride is CC12CN3CN(C1)CC(C)(C3)C2=O.Cl.
What is the InChIKey of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride?
The InChIKey is CTCJRNXVOYQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11;/h3-7H2,1-2H3;1H.
What are the key properties of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride?
5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one;hydrochloride is sourced from PubChem (CID 3075224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).