(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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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone
CID 55119994
1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63952299
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79750528
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107174724
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030083
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66394913
cyclobutyl-[5-[1-(oxolane-2-carbonyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305142
[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
CID 82259331

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).