(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one

C15H17N3O — CID 101192778

IUPAC(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one
SMILESCNC1=CC(=O)[C@H]([C@@H](C)c2c[nH]c3ccccc23)N1
InChIInChI=1S/C15H17N3O/c1-9(15-13(19)7-14(16-2)18-15)11-8-17-12-6-4-3-5-10(11)12/h3-9,15-18H,1-2H3/t9-,15-/m0/s1
InChIKeyNXORERAUIBYOBP-VFZGTOFNSA-N
MW255.32 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one

(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one (PubChem CID 101192778) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one
PubChem CID101192778
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one
SMILESCNC1=CC(=O)[C@H]([C@@H](C)c2c[nH]c3ccccc23)N1
InChIInChI=1S/C15H17N3O/c1-9(15-13(19)7-14(16-2)18-15)11-8-17-12-6-4-3-5-10(11)12/h3-9,15-18H,1-2H3/t9-,15-/m0/s1
InChIKeyNXORERAUIBYOBP-VFZGTOFNSA-N
XLogP1.87
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-3-[1-(1H-indol-3-yl)ethyl]-6-octylpiperazine-2,5-dione
CID 54467381
3-propan-2-yl-1H-indole
CID 12534824
3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propanoic acid
CID 54209829
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide
CID 54514745
3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
CID 59878227
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-(methylamino)-1H-quinolin-4-one
CID 119084506
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one?
The IUPAC name of (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one (CID 101192778) is (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one?
The canonical SMILES for (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one is CNC1=CC(=O)[C@H]([C@@H](C)c2c[nH]c3ccccc23)N1.
What is the InChIKey of (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one?
The InChIKey is NXORERAUIBYOBP-VFZGTOFNSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9(15-13(19)7-14(16-2)18-15)11-8-17-12-6-4-3-5-10(11)12/h3-9,15-18H,1-2H3/t9-,15-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one?
(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one has a molecular weight of 255.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 101192778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).