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

C15H20N2O2 — CID 79751060

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C15H20N2O2/c1-9-7-11-8-12(16)3-4-14(11)17(9)15(18)13-5-6-19-10(13)2/h3-4,8-10,13H,5-7,16H2,1-2H3
InChIKeyPSEZJOHNFBTOOL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.97
Rot. Bonds1

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

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79751060) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID79751060
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C15H20N2O2/c1-9-7-11-8-12(16)3-4-14(11)17(9)15(18)13-5-6-19-10(13)2/h3-4,8-10,13H,5-7,16H2,1-2H3
InChIKeyPSEZJOHNFBTOOL-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone (CID 79751060) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is PSEZJOHNFBTOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-7-11-8-12(16)3-4-14(11)17(9)15(18)13-5-6-19-10(13)2/h3-4,8-10,13H,5-7,16H2,1-2H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79751060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).