4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one

C14H16N2O2 — CID 168661104

IUPAC4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc3c(c2)C(=O)CC3)C1
InChIInChI=1S/C14H16N2O2/c15-7-9-5-14(18)16(8-9)11-3-1-10-2-4-13(17)12(10)6-11/h1,3,6,9H,2,4-5,7-8,15H2
InChIKeyXGHCGBAAAVJZHG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.13
Rot. Bonds2

About 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one (PubChem CID 168661104) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
PubChem CID168661104
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc3c(c2)C(=O)CC3)C1
InChIInChI=1S/C14H16N2O2/c15-7-9-5-14(18)16(8-9)11-3-1-10-2-4-13(17)12(10)6-11/h1,3,6,9H,2,4-5,7-8,15H2
InChIKeyXGHCGBAAAVJZHG-UHFFFAOYSA-N
XLogP1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168505993
[5-oxo-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674345
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659198
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
4-(bromomethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168505492
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one
CID 168659228
4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168508813
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzonitrile
CID 168660667

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one (CID 168661104) is 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2ccc3c(c2)C(=O)CC3)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The InChIKey is XGHCGBAAAVJZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-7-9-5-14(18)16(8-9)11-3-1-10-2-4-13(17)12(10)6-11/h1,3,6,9H,2,4-5,7-8,15H2.
What are the key properties of 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).