2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone

C10H18N2O — CID 64611824

IUPAC2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2CNC2)C1
InChIInChI=1S/C10H18N2O/c1-8-2-3-12(7-8)10(13)4-9-5-11-6-9/h8-9,11H,2-7H2,1H3
InChIKeyRTOSYHJZWBDRMN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone

2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 64611824) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID64611824
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2CNC2)C1
InChIInChI=1S/C10H18N2O/c1-8-2-3-12(7-8)10(13)4-9-5-11-6-9/h8-9,11H,2-7H2,1H3
InChIKeyRTOSYHJZWBDRMN-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64609795
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 103533035
1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid
CID 79311312
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone (CID 64611824) is 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone is CC1CCN(C(=O)CC2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is RTOSYHJZWBDRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-2-3-12(7-8)10(13)4-9-5-11-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone?
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 64611824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).