5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole

C17H17NO — CID 114522456

IUPAC5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
SMILESc1cc(OC2CC2)cc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H17NO/c1-2-12(11-16(3-1)19-15-5-6-15)13-4-7-17-14(10-13)8-9-18-17/h1-4,7,10-11,15,18H,5-6,8-9H2
InChIKeyZODYXYKEUYSIAH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.86
Rot. Bonds3

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

5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 114522456) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
PubChem CID114522456
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
SMILESc1cc(OC2CC2)cc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H17NO/c1-2-12(11-16(3-1)19-15-5-6-15)13-4-7-17-14(10-13)8-9-18-17/h1-4,7,10-11,15,18H,5-6,8-9H2
InChIKeyZODYXYKEUYSIAH-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole (CID 114522456) is 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole is c1cc(OC2CC2)cc(-c2ccc3c(c2)CCN3)c1.
What is the InChIKey of 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is ZODYXYKEUYSIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-12(11-16(3-1)19-15-5-6-15)13-4-7-17-14(10-13)8-9-18-17/h1-4,7,10-11,15,18H,5-6,8-9H2.
What are the key properties of 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole?
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 114522456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).