3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one

C15H20N2O — CID 103739369

IUPAC3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2ccccc2C2CC2)C1=O
InChIInChI=1S/C15H20N2O/c1-17-9-8-14(15(17)18)16-10-12-4-2-3-5-13(12)11-6-7-11/h2-5,11,14,16H,6-10H2,1H3
InChIKeyMUSUFLHOLBFVSR-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.88
Rot. Bonds4

About 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one

3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 103739369) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID103739369
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2ccccc2C2CC2)C1=O
InChIInChI=1S/C15H20N2O/c1-17-9-8-14(15(17)18)16-10-12-4-2-3-5-13(12)11-6-7-11/h2-5,11,14,16H,6-10H2,1H3
InChIKeyMUSUFLHOLBFVSR-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106257588
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521
2-fluoro-N'-hydroxy-3-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 106256785
1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
CID 103711175
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253585
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
CID 79501211
3-[(4-bromo-2-nitrophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252869
3-[(2-bromo-4-nitrophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 104952511
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one (CID 103739369) is 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one is CN1CCC(NCc2ccccc2C2CC2)C1=O.
What is the InChIKey of 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is MUSUFLHOLBFVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-9-8-14(15(17)18)16-10-12-4-2-3-5-13(12)11-6-7-11/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one?
3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 103739369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).