2-(azetidin-1-ylmethyl)cycloheptan-1-one

C11H19NO — CID 130548358

IUPAC2-(azetidin-1-ylmethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1CN1CCC1
InChIInChI=1S/C11H19NO/c13-11-6-3-1-2-5-10(11)9-12-7-4-8-12/h10H,1-9H2
InChIKeyHDIOYPSRTTVDTF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About 2-(azetidin-1-ylmethyl)cycloheptan-1-one

2-(azetidin-1-ylmethyl)cycloheptan-1-one (PubChem CID 130548358) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)cycloheptan-1-one
PubChem CID130548358
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(azetidin-1-ylmethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1CN1CCC1
InChIInChI=1S/C11H19NO/c13-11-6-3-1-2-5-10(11)9-12-7-4-8-12/h10H,1-9H2
InChIKeyHDIOYPSRTTVDTF-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 63007742
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
2-(1,2,5-dithiazepan-5-ylmethyl)cyclohexan-1-one
CID 131154504
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
2-[(4-propan-2-ylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 103502471
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 63160155
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 55133325
2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
CID 62613350
2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966895
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one
CID 79945871
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one
CID 63171156
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptan-1-one
CID 102728227

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)cycloheptan-1-one?
The IUPAC name of 2-(azetidin-1-ylmethyl)cycloheptan-1-one (CID 130548358) is 2-(azetidin-1-ylmethyl)cycloheptan-1-one.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)cycloheptan-1-one?
The canonical SMILES for 2-(azetidin-1-ylmethyl)cycloheptan-1-one is O=C1CCCCCC1CN1CCC1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)cycloheptan-1-one?
The InChIKey is HDIOYPSRTTVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-6-3-1-2-5-10(11)9-12-7-4-8-12/h10H,1-9H2.
What are the key properties of 2-(azetidin-1-ylmethyl)cycloheptan-1-one?
2-(azetidin-1-ylmethyl)cycloheptan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)cycloheptan-1-one is sourced from PubChem (CID 130548358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).