(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone

C14H18N2O2 — CID 81324284

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCc3c(N)cccc32)O1
InChIInChI=1S/C14H18N2O2/c1-9-5-6-13(18-9)14(17)16-8-7-10-11(15)3-2-4-12(10)16/h2-4,9,13H,5-8,15H2,1H3
InChIKeyFNKWDNWURLBDMX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds1

About (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone (PubChem CID 81324284) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone
PubChem CID81324284
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCc3c(N)cccc32)O1
InChIInChI=1S/C14H18N2O2/c1-9-5-6-13(18-9)14(17)16-8-7-10-11(15)3-2-4-12(10)16/h2-4,9,13H,5-8,15H2,1H3
InChIKeyFNKWDNWURLBDMX-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 97326598
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
[3-methyl-5-[(2S,5S)-5-methyloxolane-2-carbonyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]-[(2S,5S)-5-methyloxolan-2-yl]methanone
CID 99715353
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114337455
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
[4-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81316493
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
CID 82705671

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone (CID 81324284) is (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCc3c(N)cccc32)O1.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is FNKWDNWURLBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-6-13(18-9)14(17)16-8-7-10-11(15)3-2-4-12(10)16/h2-4,9,13H,5-8,15H2,1H3.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81324284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).