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

C14H17N3O — CID 168660089

IUPAC4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
SMILESCn1ccc2cc(N3CC(CN)CC3=O)ccc21
InChIInChI=1S/C14H17N3O/c1-16-5-4-11-7-12(2-3-13(11)16)17-9-10(8-15)6-14(17)18/h2-5,7,10H,6,8-9,15H2,1H3
InChIKeyVXCRNTJTNYUEBZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.49
Rot. Bonds2

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

4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one (PubChem CID 168660089) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
PubChem CID168660089
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
SMILESCn1ccc2cc(N3CC(CN)CC3=O)ccc21
InChIInChI=1S/C14H17N3O/c1-16-5-4-11-7-12(2-3-13(11)16)17-9-10(8-15)6-14(17)18/h2-5,7,10H,6,8-9,15H2,1H3
InChIKeyVXCRNTJTNYUEBZ-UHFFFAOYSA-N
XLogP1.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168688428
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
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
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one (CID 168660089) is 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one is Cn1ccc2cc(N3CC(CN)CC3=O)ccc21.
What is the InChIKey of 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one?
The InChIKey is VXCRNTJTNYUEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-5-4-11-7-12(2-3-13(11)16)17-9-10(8-15)6-14(17)18/h2-5,7,10H,6,8-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168660089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).