1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol

C13H15NO2 — CID 117309477

IUPAC1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)cc2c(C)c[nH]c12
InChIInChI=1S/C13H15NO2/c1-8-7-14-12-10(8)5-9(6-11(12)16-2)13(15)3-4-13/h5-7,14-15H,3-4H2,1-2H3
InChIKeyQHRKNGIJWRMOQD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.47
Rot. Bonds2

About 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol

1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol (PubChem CID 117309477) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol
PubChem CID117309477
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)cc2c(C)c[nH]c12
InChIInChI=1S/C13H15NO2/c1-8-7-14-12-10(8)5-9(6-11(12)16-2)13(15)3-4-13/h5-7,14-15H,3-4H2,1-2H3
InChIKeyQHRKNGIJWRMOQD-UHFFFAOYSA-N
XLogP2.47
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol (CID 117309477) is 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol is COc1cc(C2(O)CC2)cc2c(C)c[nH]c12.
What is the InChIKey of 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol?
The InChIKey is QHRKNGIJWRMOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-7-14-12-10(8)5-9(6-11(12)16-2)13(15)3-4-13/h5-7,14-15H,3-4H2,1-2H3.
What are the key properties of 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol?
1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117309477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).