(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'}

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Related Compounds

(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 63118334
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61101971
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368

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).