2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone

C9H14N2O — CID 131198163

IUPAC2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)N2CC=CC2)CNC1
InChIInChI=1S/C9H14N2O/c1-9(6-10-7-9)8(12)11-4-2-3-5-11/h2-3,10H,4-7H2,1H3
InChIKeyXQYYOFUEYYYMON-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.01
Rot. Bonds1

About 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone

2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone (PubChem CID 131198163) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone
PubChem CID131198163
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)N2CC=CC2)CNC1
InChIInChI=1S/C9H14N2O/c1-9(6-10-7-9)8(12)11-4-2-3-5-11/h2-3,10H,4-7H2,1H3
InChIKeyXQYYOFUEYYYMON-UHFFFAOYSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
CID 114409116
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
CID 165141051
CID 165141051
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114409449
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114459997
bis(2,2,6,6-tetramethylpiperazin-1-yl)methanone
CID 174397328
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
CID 131000770
(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
CID 171439279
1-(3-methylazetidin-3-yl)but-3-yn-1-one
CID 131149684

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone (CID 131198163) is 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone is CC1(C(=O)N2CC=CC2)CNC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone?
The InChIKey is XQYYOFUEYYYMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(6-10-7-9)8(12)11-4-2-3-5-11/h2-3,10H,4-7H2,1H3.
What are the key properties of 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone?
2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone has a molecular weight of 166.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-(3-methylazetidin-3-yl)methanone is sourced from PubChem (CID 131198163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).