1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one

C13H17N3O2 — CID 115155191

IUPAC1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
SMILESCNc1ccc2c(c1)CC(=O)N2C(=O)CCCN
InChIInChI=1S/C13H17N3O2/c1-15-10-4-5-11-9(7-10)8-13(18)16(11)12(17)3-2-6-14/h4-5,7,15H,2-3,6,8,14H2,1H3
InChIKeyZDTFIWKKCQSJKV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds4

About 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one

1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one (PubChem CID 115155191) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
PubChem CID115155191
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
SMILESCNc1ccc2c(c1)CC(=O)N2C(=O)CCCN
InChIInChI=1S/C13H17N3O2/c1-15-10-4-5-11-9(7-10)8-13(18)16(11)12(17)3-2-6-14/h4-5,7,15H,2-3,6,8,14H2,1H3
InChIKeyZDTFIWKKCQSJKV-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
CID 115155708
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
CID 115225548
5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
CID 115152987
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
5-acetamido-2-oxo-3H-indole-1-carboxamide
CID 70381945
5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
CID 115139297
1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
CID 115243978
methyl 3-(5-amino-2-oxo-3H-indol-1-yl)-3-oxopropanoate
CID 115174118
(E)-4-[5-(methylamino)-2-oxo-3H-indol-1-yl]but-2-enoic acid
CID 115236990
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one?
The IUPAC name of 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one (CID 115155191) is 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one?
The canonical SMILES for 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one is CNc1ccc2c(c1)CC(=O)N2C(=O)CCCN.
What is the InChIKey of 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one?
The InChIKey is ZDTFIWKKCQSJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-10-4-5-11-9(7-10)8-13(18)16(11)12(17)3-2-6-14/h4-5,7,15H,2-3,6,8,14H2,1H3.
What are the key properties of 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one?
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 115155191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).