1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol

C20H20N2O — CID 135903014

IUPAC1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
SMILESOc1c(C2=NCCCCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H20N2O/c23-20-19(17-12-5-2-8-14-21-17)16-11-6-7-13-18(16)22(20)15-9-3-1-4-10-15/h1,3-4,6-7,9-11,13,23H,2,5,8,12,14H2
InChIKeyGNIDLIPXQPNEIB-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.70
Rot. Bonds2

About 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol

1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol (PubChem CID 135903014) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
PubChem CID135903014
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
SMILESOc1c(C2=NCCCCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H20N2O/c23-20-19(17-12-5-2-8-14-21-17)16-11-6-7-13-18(16)22(20)15-9-3-1-4-10-15/h1,3-4,6-7,9-11,13,23H,2,5,8,12,14H2
InChIKeyGNIDLIPXQPNEIB-UHFFFAOYSA-N
XLogP4.70
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol?
The IUPAC name of 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol (CID 135903014) is 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol.
What is the SMILES notation for 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol?
The canonical SMILES for 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol is Oc1c(C2=NCCCCC2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol?
The InChIKey is GNIDLIPXQPNEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20-19(17-12-5-2-8-14-21-17)16-11-6-7-13-18(16)22(20)15-9-3-1-4-10-15/h1,3-4,6-7,9-11,13,23H,2,5,8,12,14H2.
What are the key properties of 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol?
1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol has a molecular weight of 304.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol is sourced from PubChem (CID 135903014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).