(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone

C13H15N3O — CID 62069186

IUPAC(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C13H15N3O/c14-10-5-6-16(8-10)13(17)12-7-9-3-1-2-4-11(9)15-12/h1-4,7,10,15H,5-6,8,14H2
InChIKeyHJVXSRRRLYMLIY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.34
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone

(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone (PubChem CID 62069186) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
PubChem CID62069186
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C13H15N3O/c14-10-5-6-16(8-10)13(17)12-7-9-3-1-2-4-11(9)15-12/h1-4,7,10,15H,5-6,8,14H2
InChIKeyHJVXSRRRLYMLIY-UHFFFAOYSA-N
XLogP1.34
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
CID 139371774
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119411202
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 97417199
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone (CID 62069186) is (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone is NC1CCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone?
The InChIKey is HJVXSRRRLYMLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-5-6-16(8-10)13(17)12-7-9-3-1-2-4-11(9)15-12/h1-4,7,10,15H,5-6,8,14H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone?
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 62069186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).