(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone

C14H17N3O — CID 63118391

IUPAC(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H17N3O/c1-9-3-2-6-17(9)14(18)13-8-10-7-11(15)4-5-12(10)16-13/h4-5,7-9,16H,2-3,6,15H2,1H3
InChIKeyKWEKQHJXDMJNJR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds1

About (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone

(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 63118391) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID63118391
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H17N3O/c1-9-3-2-6-17(9)14(18)13-8-10-7-11(15)4-5-12(10)16-13/h4-5,7-9,16H,2-3,6,15H2,1H3
InChIKeyKWEKQHJXDMJNJR-UHFFFAOYSA-N
XLogP2.37
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 63118391) is (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is KWEKQHJXDMJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-3-2-6-17(9)14(18)13-8-10-7-11(15)4-5-12(10)16-13/h4-5,7-9,16H,2-3,6,15H2,1H3.
What are the key properties of (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63118391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).