5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole

C12H15NO2 — CID 115074550

IUPAC5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCC1COC1)CCN2
InChIInChI=1S/C12H15NO2/c1-2-12-10(3-4-13-12)5-11(1)15-8-9-6-14-7-9/h1-2,5,9,13H,3-4,6-8H2
InChIKeyTVKZXXXBDNVZMG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds3

About 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole

5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole (PubChem CID 115074550) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
PubChem CID115074550
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCC1COC1)CCN2
InChIInChI=1S/C12H15NO2/c1-2-12-10(3-4-13-12)5-11(1)15-8-9-6-14-7-9/h1-2,5,9,13H,3-4,6-8H2
InChIKeyTVKZXXXBDNVZMG-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368
5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074586
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole (CID 115074550) is 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole is c1cc2c(cc1OCC1COC1)CCN2.
What is the InChIKey of 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
The InChIKey is TVKZXXXBDNVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-12-10(3-4-13-12)5-11(1)15-8-9-6-14-7-9/h1-2,5,9,13H,3-4,6-8H2.
What are the key properties of 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole has a molecular weight of 205.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).