9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C16H20N2O — CID 14845123

IUPAC9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESC=CCC1NCCc2c1n(COC)c1ccccc21
InChIInChI=1S/C16H20N2O/c1-3-6-14-16-13(9-10-17-14)12-7-4-5-8-15(12)18(16)11-19-2/h3-5,7-8,14,17H,1,6,9-11H2,2H3
InChIKeyKTPKZVADENQIAF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.01
Rot. Bonds4

About 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 14845123) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID14845123
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESC=CCC1NCCc2c1n(COC)c1ccccc21
InChIInChI=1S/C16H20N2O/c1-3-6-14-16-13(9-10-17-14)12-7-4-5-8-15(12)18(16)11-19-2/h3-5,7-8,14,17H,1,6,9-11H2,2H3
InChIKeyKTPKZVADENQIAF-UHFFFAOYSA-N
XLogP3.01
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol
CID 70412967
9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
CID 102361610
3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 132510291
9-methoxy-1-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 13481645
9-benzyl-1-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 91115191
(E)-but-2-enedioic acid;7,7-dimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
CID 6448433
1-benzyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
CID 90752239
1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 20513183
5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 68728829
1-[(1R)-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl]pentan-2-one
CID 101268848
9-prop-2-enyl-3,4-dihydrocarbazole
CID 163625647
methyl (10R,11S,12R)-12-ethenyl-8-methyl-8,13-diazatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraene-11-carboxylate
CID 10040228

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 14845123) is 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is C=CCC1NCCc2c1n(COC)c1ccccc21.
What is the InChIKey of 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is KTPKZVADENQIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-6-14-16-13(9-10-17-14)12-7-4-5-8-15(12)18(16)11-19-2/h3-5,7-8,14,17H,1,6,9-11H2,2H3.
What are the key properties of 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 256.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 14845123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).