methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate

C15H14N2O2 — CID 11470807

IUPACmethyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate
SMILESCOC(=O)C1CCCn2c1c(C#N)c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-19-15(18)11-6-4-8-17-13-7-3-2-5-10(13)12(9-16)14(11)17/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyMNAPSHQWHDXTQZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.56
Rot. Bonds1

About methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate

methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate (PubChem CID 11470807) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate.

Molecular Properties

Compound Namemethyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate
PubChem CID11470807
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate
SMILESCOC(=O)C1CCCn2c1c(C#N)c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-19-15(18)11-6-4-8-17-13-7-3-2-5-10(13)12(9-16)14(11)17/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyMNAPSHQWHDXTQZ-UHFFFAOYSA-N
XLogP2.56
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate with MolForge

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Related Compounds

9-(benzenesulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 11131503
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 10442668
8-methoxycarbonyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249826
methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959
methyl 1-(2-cyano-3-methylphenyl)azetidine-2-carboxylate
CID 107802149
2-cyclopropyl-1-ethylindole-3-carbonitrile
CID 22689235
methyl 3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250020
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249810
methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249851
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
methyl (3Z)-3-ethylidene-12-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizine-2-carboxylate
CID 5383331

Frequently Asked Questions

What is the IUPAC name of methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate?
The IUPAC name of methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate (CID 11470807) is methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate.
What is the SMILES notation for methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate?
The canonical SMILES for methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate is COC(=O)C1CCCn2c1c(C#N)c1ccccc12.
What is the InChIKey of methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate?
The InChIKey is MNAPSHQWHDXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-15(18)11-6-4-8-17-13-7-3-2-5-10(13)12(9-16)14(11)17/h2-3,5,7,11H,4,6,8H2,1H3.
What are the key properties of methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate?
methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate is sourced from PubChem (CID 11470807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).