(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone

C14H17N3O — CID 112530856

IUPAC(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
SMILESCn1ccc2ccc(C(=O)N3CCC(N)C3)cc21
InChIInChI=1S/C14H17N3O/c1-16-6-4-10-2-3-11(8-13(10)16)14(18)17-7-5-12(15)9-17/h2-4,6,8,12H,5,7,9,15H2,1H3
InChIKeyLQNWKGOVRFVLSJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.35
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone

(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone (PubChem CID 112530856) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
PubChem CID112530856
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
SMILESCn1ccc2ccc(C(=O)N3CCC(N)C3)cc21
InChIInChI=1S/C14H17N3O/c1-16-6-4-10-2-3-11(8-13(10)16)14(18)17-7-5-12(15)9-17/h2-4,6,8,12H,5,7,9,15H2,1H3
InChIKeyLQNWKGOVRFVLSJ-UHFFFAOYSA-N
XLogP1.35
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530732
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
CID 118768174
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3-aminopyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027839
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 68590313
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
1-methylindole-6-carboxamide
CID 22245947

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone (CID 112530856) is (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone is Cn1ccc2ccc(C(=O)N3CCC(N)C3)cc21.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
The InChIKey is LQNWKGOVRFVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-6-4-10-2-3-11(8-13(10)16)14(18)17-7-5-12(15)9-17/h2-4,6,8,12H,5,7,9,15H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone is sourced from PubChem (CID 112530856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).