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

C14H16N2O — CID 759776

IUPAC3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C1=NCCCCC1
InChIInChI=1S/C14H16N2O/c17-14-13(12-8-2-1-5-9-15-12)10-6-3-4-7-11(10)16-14/h3-4,6-7,16-17H,1-2,5,8-9H2
InChIKeySCIAMDMLNUMNAD-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.24
Rot. Bonds1

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

3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol (PubChem CID 759776) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol
PubChem CID759776
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C1=NCCCCC1
InChIInChI=1S/C14H16N2O/c17-14-13(12-8-2-1-5-9-15-12)10-6-3-4-7-11(10)16-14/h3-4,6-7,16-17H,1-2,5,8-9H2
InChIKeySCIAMDMLNUMNAD-UHFFFAOYSA-N
XLogP3.24
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol?
The IUPAC name of 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol (CID 759776) is 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1C1=NCCCCC1.
What is the InChIKey of 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol?
The InChIKey is SCIAMDMLNUMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-13(12-8-2-1-5-9-15-12)10-6-3-4-7-11(10)16-14/h3-4,6-7,16-17H,1-2,5,8-9H2.
What are the key properties of 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol?
3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol has a molecular weight of 228.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-indol-2-ol is sourced from PubChem (CID 759776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).