5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one

C13H15N3O2 — CID 168660659

IUPAC5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
SMILESNCC1CC(=O)N(c2ccc3c(c2)CNC3=O)C1
InChIInChI=1S/C13H15N3O2/c14-5-8-3-12(17)16(7-8)10-1-2-11-9(4-10)6-15-13(11)18/h1-2,4,8H,3,5-7,14H2,(H,15,18)
InChIKeyQIMBKPMOXONZQB-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.24
Rot. Bonds2

About 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one

5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one (PubChem CID 168660659) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
PubChem CID168660659
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
SMILESNCC1CC(=O)N(c2ccc3c(c2)CNC3=O)C1
InChIInChI=1S/C13H15N3O2/c14-5-8-3-12(17)16(7-8)10-1-2-11-9(4-10)6-15-13(11)18/h1-2,4,8H,3,5-7,14H2,(H,15,18)
InChIKeyQIMBKPMOXONZQB-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide
CID 168697772
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168659212
5-oxo-1-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-3-carboxylic acid
CID 168692115
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one (CID 168660659) is 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one is NCC1CC(=O)N(c2ccc3c(c2)CNC3=O)C1.
What is the InChIKey of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is QIMBKPMOXONZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-5-8-3-12(17)16(7-8)10-1-2-11-9(4-10)6-15-13(11)18/h1-2,4,8H,3,5-7,14H2,(H,15,18).
What are the key properties of 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one?
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 245.28 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 168660659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).