[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride

C11H21ClN2O — CID 130670248

IUPAC[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)[C@H]2CCN2)CC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9-3-2-7-13(8-5-9)11(14)10-4-6-12-10;/h9-10,12H,2-8H2,1H3;1H/t9?,10-;/m1./s1
InChIKeyVGPXPDWWMOFNFY-FJYJDOHQSA-N
MW232.75 g/mol
LogP1.42
Rot. Bonds1

About [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride

[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride (PubChem CID 130670248) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
PubChem CID130670248
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)[C@H]2CCN2)CC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-9-3-2-7-13(8-5-9)11(14)10-4-6-12-10;/h9-10,12H,2-8H2,1H3;1H/t9?,10-;/m1./s1
InChIKeyVGPXPDWWMOFNFY-FJYJDOHQSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 114423833
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 127007570
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(4-methylazepan-1-yl)methanone
CID 66468793
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837

Frequently Asked Questions

What is the IUPAC name of [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride (CID 130670248) is [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride is CC1CCCN(C(=O)[C@H]2CCN2)CC1.Cl.
What is the InChIKey of [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride?
The InChIKey is VGPXPDWWMOFNFY-FJYJDOHQSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-9-3-2-7-13(8-5-9)11(14)10-4-6-12-10;/h9-10,12H,2-8H2,1H3;1H/t9?,10-;/m1./s1.
What are the key properties of [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride?
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 130670248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).