2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C12H23N3O — CID 116675896

IUPAC2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(C)C1)C1CNC1
InChIInChI=1S/C12H23N3O/c1-9(11-6-13-7-11)12(16)14-5-10-3-4-15(2)8-10/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyJHKORJAVFIPNNT-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.09
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 116675896) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID116675896
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(C)C1)C1CNC1
InChIInChI=1S/C12H23N3O/c1-9(11-6-13-7-11)12(16)14-5-10-3-4-15(2)8-10/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyJHKORJAVFIPNNT-UHFFFAOYSA-N
XLogP-0.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 116675896) is 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CC(C(=O)NCC1CCN(C)C1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is JHKORJAVFIPNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(11-6-13-7-11)12(16)14-5-10-3-4-15(2)8-10/h9-11,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 225.34 g/mol, XLogP of -0.09, 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-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 116675896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).