9-prop-2-enylpyrido[3,4-b]indole

C14H12N2 — CID 53258041

IUPAC9-prop-2-enylpyrido[3,4-b]indole
SMILESC=CCn1c2ccccc2c2ccncc21
InChIInChI=1S/C14H12N2/c1-2-9-16-13-6-4-3-5-11(13)12-7-8-15-10-14(12)16/h2-8,10H,1,9H2
InChIKeyIWZMOPHWKSCRGD-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.38
Rot. Bonds2

About 9-prop-2-enylpyrido[3,4-b]indole

9-prop-2-enylpyrido[3,4-b]indole (PubChem CID 53258041) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 9-prop-2-enylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-prop-2-enylpyrido[3,4-b]indole
PubChem CID53258041
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name9-prop-2-enylpyrido[3,4-b]indole
SMILESC=CCn1c2ccccc2c2ccncc21
InChIInChI=1S/C14H12N2/c1-2-9-16-13-6-4-3-5-11(13)12-7-8-15-10-14(12)16/h2-8,10H,1,9H2
InChIKeyIWZMOPHWKSCRGD-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-prop-2-enylpyrido[3,4-b]indole?
The IUPAC name of 9-prop-2-enylpyrido[3,4-b]indole (CID 53258041) is 9-prop-2-enylpyrido[3,4-b]indole.
What is the SMILES notation for 9-prop-2-enylpyrido[3,4-b]indole?
The canonical SMILES for 9-prop-2-enylpyrido[3,4-b]indole is C=CCn1c2ccccc2c2ccncc21.
What is the InChIKey of 9-prop-2-enylpyrido[3,4-b]indole?
The InChIKey is IWZMOPHWKSCRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-9-16-13-6-4-3-5-11(13)12-7-8-15-10-14(12)16/h2-8,10H,1,9H2.
What are the key properties of 9-prop-2-enylpyrido[3,4-b]indole?
9-prop-2-enylpyrido[3,4-b]indole has a molecular weight of 208.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enylpyrido[3,4-b]indole is sourced from PubChem (CID 53258041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).