azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone

C9H16N2O — CID 166738845

IUPACazetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCC2)C1
InChIInChI=1S/C9H16N2O/c1-8-3-6-11(7-8)9(12)10-4-2-5-10/h8H,2-7H2,1H3
InChIKeyPUVPTXNDOCMIEW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.15
Rot. Bonds

About azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone

azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 166738845) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
PubChem CID166738845
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameazetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCC2)C1
InChIInChI=1S/C9H16N2O/c1-8-3-6-11(7-8)9(12)10-4-2-5-10/h8H,2-7H2,1H3
InChIKeyPUVPTXNDOCMIEW-UHFFFAOYSA-N
XLogP1.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
CID 79162947
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 130679410
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone (CID 166738845) is azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)N2CCC2)C1.
What is the InChIKey of azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is PUVPTXNDOCMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-3-6-11(7-8)9(12)10-4-2-5-10/h8H,2-7H2,1H3.
What are the key properties of azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone?
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 168.24 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166738845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).