5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol

C20H18N2O — CID 70508743

IUPAC5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol
SMILESC=CCn1c2ccc(O)cc2c2c(C)c3cnccc3c(C)c21
InChIInChI=1S/C20H18N2O/c1-4-9-22-18-6-5-14(23)10-16(18)19-12(2)17-11-21-8-7-15(17)13(3)20(19)22/h4-8,10-11,23H,1,9H2,2-3H3
InChIKeyRNXVNDQHYBQOIM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.85
Rot. Bonds2

About 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol

5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol (PubChem CID 70508743) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol
PubChem CID70508743
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol
SMILESC=CCn1c2ccc(O)cc2c2c(C)c3cnccc3c(C)c21
InChIInChI=1S/C20H18N2O/c1-4-9-22-18-6-5-14(23)10-16(18)19-12(2)17-11-21-8-7-15(17)13(3)20(19)22/h4-8,10-11,23H,1,9H2,2-3H3
InChIKeyRNXVNDQHYBQOIM-UHFFFAOYSA-N
XLogP4.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
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 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol (CID 70508743) is 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol is C=CCn1c2ccc(O)cc2c2c(C)c3cnccc3c(C)c21.
What is the InChIKey of 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol?
The InChIKey is RNXVNDQHYBQOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-4-9-22-18-6-5-14(23)10-16(18)19-12(2)17-11-21-8-7-15(17)13(3)20(19)22/h4-8,10-11,23H,1,9H2,2-3H3.
What are the key properties of 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol?
5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol has a molecular weight of 302.38 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-6-prop-2-enylpyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 70508743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).