2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

C11H17N3O — CID 103814673

IUPAC2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)CC2CNC2)c1
InChIInChI=1S/C11H17N3O/c1-14-3-2-9(8-14)7-13-11(15)4-10-5-12-6-10/h2-3,8,10,12H,4-7H2,1H3,(H,13,15)
InChIKeyGFBUNLHAKVKWNF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.25
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (PubChem CID 103814673) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
PubChem CID103814673
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)CC2CNC2)c1
InChIInChI=1S/C11H17N3O/c1-14-3-2-9(8-14)7-13-11(15)4-10-5-12-6-10/h2-3,8,10,12H,4-7H2,1H3,(H,13,15)
InChIKeyGFBUNLHAKVKWNF-UHFFFAOYSA-N
XLogP0.25
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814676
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106390836
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 64617370
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (CID 103814673) is 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is Cn1ccc(CNC(=O)CC2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The InChIKey is GFBUNLHAKVKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-3-2-9(8-14)7-13-11(15)4-10-5-12-6-10/h2-3,8,10,12H,4-7H2,1H3,(H,13,15).
What are the key properties of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is sourced from PubChem (CID 103814673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).