4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one

C13H16N4O — CID 168660099

IUPAC4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
SMILESCn1cc2cc(N3CC(CN)CC3=O)ccc2n1
InChIInChI=1S/C13H16N4O/c1-16-8-10-5-11(2-3-12(10)15-16)17-7-9(6-14)4-13(17)18/h2-3,5,8-9H,4,6-7,14H2,1H3
InChIKeyDFVUEZKKHUMTKL-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.88
Rot. Bonds2

About 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one (PubChem CID 168660099) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
PubChem CID168660099
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
SMILESCn1cc2cc(N3CC(CN)CC3=O)ccc2n1
InChIInChI=1S/C13H16N4O/c1-16-8-10-5-11(2-3-12(10)15-16)17-7-9(6-14)4-13(17)18/h2-3,5,8-9H,4,6-7,14H2,1H3
InChIKeyDFVUEZKKHUMTKL-UHFFFAOYSA-N
XLogP0.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670795
S-[[1-(2-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667466
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697119
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
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-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
S-[1-(2-methylindazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705873
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
CID 168660692

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one (CID 168660099) is 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one is Cn1cc2cc(N3CC(CN)CC3=O)ccc2n1.
What is the InChIKey of 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one?
The InChIKey is DFVUEZKKHUMTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-8-10-5-11(2-3-12(10)15-16)17-7-9(6-14)4-13(17)18/h2-3,5,8-9H,4,6-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168660099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).