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

C14H18N2O2 — CID 62213133

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)C1CCCCO1
InChIInChI=1S/C14H18N2O2/c15-11-4-5-12-10(9-11)6-7-16(12)14(17)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2
InChIKeyXTYFWUODILXVJW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds1

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

(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone (PubChem CID 62213133) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
PubChem CID62213133
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)C1CCCCO1
InChIInChI=1S/C14H18N2O2/c15-11-4-5-12-10(9-11)6-7-16(12)14(17)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2
InChIKeyXTYFWUODILXVJW-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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Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone (CID 62213133) is (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone is Nc1ccc2c(c1)CCN2C(=O)C1CCCCO1.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone?
The InChIKey is XTYFWUODILXVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-11-4-5-12-10(9-11)6-7-16(12)14(17)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(oxan-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 (5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 62213133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).