(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone

C13H17N3O — CID 114455948

IUPAC(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cccc2c1N(C(=O)N1CCCC1)CC2
InChIInChI=1S/C13H17N3O/c14-11-5-3-4-10-6-9-16(12(10)11)13(17)15-7-1-2-8-15/h3-5H,1-2,6-9,14H2
InChIKeyZSMFHIJRKKYZCN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.85
Rot. Bonds

About (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone

(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 114455948) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID114455948
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cccc2c1N(C(=O)N1CCCC1)CC2
InChIInChI=1S/C13H17N3O/c14-11-5-3-4-10-6-9-16(12(10)11)13(17)15-7-1-2-8-15/h3-5H,1-2,6-9,14H2
InChIKeyZSMFHIJRKKYZCN-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 114455890
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
CID 114455603
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
CID 114458473
(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone
CID 114455722
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
CID 114455613
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone (CID 114455948) is (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone is Nc1cccc2c1N(C(=O)N1CCCC1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZSMFHIJRKKYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-5-3-4-10-6-9-16(12(10)11)13(17)15-7-1-2-8-15/h3-5H,1-2,6-9,14H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone?
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 231.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 114455948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).