4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one

C14H17N3O — CID 168700196

IUPAC4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3O/c15-11-8-14(18)17(9-11)6-5-12-7-10-3-1-2-4-13(10)16-12/h1-4,7,11,16H,5-6,8-9,15H2
InChIKeyKMJVRFHVWPKINS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one

4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 168700196) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
PubChem CID168700196
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3O/c15-11-8-14(18)17(9-11)6-5-12-7-10-3-1-2-4-13(10)16-12/h1-4,7,11,16H,5-6,8-9,15H2
InChIKeyKMJVRFHVWPKINS-UHFFFAOYSA-N
XLogP1.27
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168660253
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694187
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
CID 168700186
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170
2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one
CID 168700148
4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
4-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-one
CID 82159571
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one (CID 168700196) is 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one is NC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is KMJVRFHVWPKINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-11-8-14(18)17(9-11)6-5-12-7-10-3-1-2-4-13(10)16-12/h1-4,7,11,16H,5-6,8-9,15H2.
What are the key properties of 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168700196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).