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

C9H16N2O — CID 130547014

IUPACazetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)N2CCC2)CCNC1
InChIInChI=1S/C9H16N2O/c1-9(3-4-10-7-9)8(12)11-5-2-6-11/h10H,2-7H2,1H3
InChIKeyRXLIQOCBMJEDQB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds1

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

azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 130547014) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
PubChem CID130547014
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameazetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)N2CCC2)CCNC1
InChIInChI=1S/C9H16N2O/c1-9(3-4-10-7-9)8(12)11-5-2-6-11/h10H,2-7H2,1H3
InChIKeyRXLIQOCBMJEDQB-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
2-[4-(3-methylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 63142520
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
1-[4-(3-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 63131526
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone (CID 130547014) is azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)N2CCC2)CCNC1.
What is the InChIKey of azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is RXLIQOCBMJEDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(3-4-10-7-9)8(12)11-5-2-6-11/h10H,2-7H2,1H3.
What are the key properties of azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone?
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 168.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 130547014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).