5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one

C14H17N3O2 — CID 103575914

IUPAC5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1N
InChIInChI=1S/C14H17N3O2/c1-8-6-17(7-11(8)15)14(19)9-2-3-12-10(4-9)5-13(18)16-12/h2-4,8,11H,5-7,15H2,1H3,(H,16,18)
InChIKeyMLMHAKBFDMVMBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.60
Rot. Bonds1

About 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one

5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 103575914) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
PubChem CID103575914
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1N
InChIInChI=1S/C14H17N3O2/c1-8-6-17(7-11(8)15)14(19)9-2-3-12-10(4-9)5-13(18)16-12/h2-4,8,11H,5-7,15H2,1H3,(H,16,18)
InChIKeyMLMHAKBFDMVMBY-UHFFFAOYSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-amino-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711641
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712422
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one (CID 103575914) is 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one is CC1CN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1N.
What is the InChIKey of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is MLMHAKBFDMVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-6-17(7-11(8)15)14(19)9-2-3-12-10(4-9)5-13(18)16-12/h2-4,8,11H,5-7,15H2,1H3,(H,16,18).
What are the key properties of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one?
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 103575914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).