1-[(2R)-oxan-2-yl]-2,3-dihydroindole

C13H17NO — CID 134858745

IUPAC1-[(2R)-oxan-2-yl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2[C@H]1CCCCO1
InChIInChI=1S/C13H17NO/c1-2-6-12-11(5-1)8-9-14(12)13-7-3-4-10-15-13/h1-2,5-6,13H,3-4,7-10H2/t13-/m1/s1
InChIKeyCBRWSJNUDWTLEJ-CYBMUJFWSA-N
MW203.28 g/mol
LogP2.58
Rot. Bonds1

About 1-[(2R)-oxan-2-yl]-2,3-dihydroindole

1-[(2R)-oxan-2-yl]-2,3-dihydroindole (PubChem CID 134858745) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(2R)-oxan-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2R)-oxan-2-yl]-2,3-dihydroindole
PubChem CID134858745
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-[(2R)-oxan-2-yl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2[C@H]1CCCCO1
InChIInChI=1S/C13H17NO/c1-2-6-12-11(5-1)8-9-14(12)13-7-3-4-10-15-13/h1-2,5-6,13H,3-4,7-10H2/t13-/m1/s1
InChIKeyCBRWSJNUDWTLEJ-CYBMUJFWSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
CID 102451637
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 66472298
3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 163306536
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
CID 167480833
[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53015005
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one
CID 158912892

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxan-2-yl]-2,3-dihydroindole?
The IUPAC name of 1-[(2R)-oxan-2-yl]-2,3-dihydroindole (CID 134858745) is 1-[(2R)-oxan-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(2R)-oxan-2-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[(2R)-oxan-2-yl]-2,3-dihydroindole is c1ccc2c(c1)CCN2[C@H]1CCCCO1.
What is the InChIKey of 1-[(2R)-oxan-2-yl]-2,3-dihydroindole?
The InChIKey is CBRWSJNUDWTLEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-6-12-11(5-1)8-9-14(12)13-7-3-4-10-15-13/h1-2,5-6,13H,3-4,7-10H2/t13-/m1/s1.
What are the key properties of 1-[(2R)-oxan-2-yl]-2,3-dihydroindole?
1-[(2R)-oxan-2-yl]-2,3-dihydroindole has a molecular weight of 203.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxan-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 134858745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).