[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol

C14H19NO2 — CID 116997114

IUPAC[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol
SMILESCN1CCc2cc(CC3(CO)COC3)ccc21
InChIInChI=1S/C14H19NO2/c1-15-5-4-12-6-11(2-3-13(12)15)7-14(8-16)9-17-10-14/h2-3,6,16H,4-5,7-10H2,1H3
InChIKeyUPZZHGIQVHFRPU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.23
Rot. Bonds3

About [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol

[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116997114) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol
PubChem CID116997114
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol
SMILESCN1CCc2cc(CC3(CO)COC3)ccc21
InChIInChI=1S/C14H19NO2/c1-15-5-4-12-6-11(2-3-13(12)15)7-14(8-16)9-17-10-14/h2-3,6,16H,4-5,7-10H2,1H3
InChIKeyUPZZHGIQVHFRPU-UHFFFAOYSA-N
XLogP1.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopropyl]methanol
CID 116997101
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
methyl 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116997109
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
CID 116930311
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
1-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]cyclopropan-1-amine
CID 105470358
N-[(1-ethylcyclopropyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 103838456
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol (CID 116997114) is [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol is CN1CCc2cc(CC3(CO)COC3)ccc21.
What is the InChIKey of [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is UPZZHGIQVHFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-5-4-12-6-11(2-3-13(12)15)7-14(8-16)9-17-10-14/h2-3,6,16H,4-5,7-10H2,1H3.
What are the key properties of [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol?
[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116997114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).