3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol

C14H16N2O2 — CID 136783634

IUPAC3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/C[C@H]1CCCO1
InChIInChI=1S/C14H16N2O2/c17-14-12(9-15-8-10-4-3-7-18-10)11-5-1-2-6-13(11)16-14/h1-2,5-6,9-10,16-17H,3-4,7-8H2/b15-9+/t10-/m1/s1
InChIKeyHVUMUHGVTMSUHS-KXUVPBGPSA-N
MW244.29 g/mol
LogP2.47
Rot. Bonds3

About 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol

3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol (PubChem CID 136783634) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol
PubChem CID136783634
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/C[C@H]1CCCO1
InChIInChI=1S/C14H16N2O2/c17-14-12(9-15-8-10-4-3-7-18-10)11-5-1-2-6-13(11)16-14/h1-2,5-6,9-10,16-17H,3-4,7-8H2/b15-9+/t10-/m1/s1
InChIKeyHVUMUHGVTMSUHS-KXUVPBGPSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol (CID 136783634) is 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/C[C@H]1CCCO1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol?
The InChIKey is HVUMUHGVTMSUHS-KXUVPBGPSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-12(9-15-8-10-4-3-7-18-10)11-5-1-2-6-13(11)16-14/h1-2,5-6,9-10,16-17H,3-4,7-8H2/b15-9+/t10-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol?
3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol has a molecular weight of 244.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136783634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).