6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol

C15H18N2O — CID 70412967

IUPAC6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol
SMILESC=CCn1c2c(c3ccccc31)CCNCC2O
InChIInChI=1S/C15H18N2O/c1-2-9-17-13-6-4-3-5-11(13)12-7-8-16-10-14(18)15(12)17/h2-6,14,16,18H,1,7-10H2
InChIKeySGONBESOJLFHNY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.01
Rot. Bonds2

About 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol

6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol (PubChem CID 70412967) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol.

Molecular Properties

Compound Name6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol
PubChem CID70412967
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol
SMILESC=CCn1c2c(c3ccccc31)CCNCC2O
InChIInChI=1S/C15H18N2O/c1-2-9-17-13-6-4-3-5-11(13)12-7-8-16-10-14(18)15(12)17/h2-6,14,16,18H,1,7-10H2
InChIKeySGONBESOJLFHNY-UHFFFAOYSA-N
XLogP2.01
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol?
The IUPAC name of 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol (CID 70412967) is 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol.
What is the SMILES notation for 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol?
The canonical SMILES for 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol is C=CCn1c2c(c3ccccc31)CCNCC2O.
What is the InChIKey of 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol?
The InChIKey is SGONBESOJLFHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-9-17-13-6-4-3-5-11(13)12-7-8-16-10-14(18)15(12)17/h2-6,14,16,18H,1,7-10H2.
What are the key properties of 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol?
6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol has a molecular weight of 242.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol is sourced from PubChem (CID 70412967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).