(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone

C14H18N2O3 — CID 83212270

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)C1COCCO1)CC2
InChIInChI=1S/C14H18N2O3/c1-9-6-10-2-3-16(12(10)7-11(9)15)14(17)13-8-18-4-5-19-13/h6-7,13H,2-5,8,15H2,1H3
InChIKeyIUACGJVIKQUIOQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.88
Rot. Bonds1

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone (PubChem CID 83212270) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone
PubChem CID83212270
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)C1COCCO1)CC2
InChIInChI=1S/C14H18N2O3/c1-9-6-10-2-3-16(12(10)7-11(9)15)14(17)13-8-18-4-5-19-13/h6-7,13H,2-5,8,15H2,1H3
InChIKeyIUACGJVIKQUIOQ-UHFFFAOYSA-N
XLogP0.88
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone (CID 83212270) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone is Cc1cc2c(cc1N)N(C(=O)C1COCCO1)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone?
The InChIKey is IUACGJVIKQUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-10-2-3-16(12(10)7-11(9)15)14(17)13-8-18-4-5-19-13/h6-7,13H,2-5,8,15H2,1H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 83212270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).