methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate

C15H17NO4 — CID 46243283

IUPACmethyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)[C@@H]1c2ccccc2N2C(=O)CC[C@@](C)(O)[C@@H]12
InChIInChI=1S/C15H17NO4/c1-15(19)8-7-11(17)16-10-6-4-3-5-9(10)12(13(15)16)14(18)20-2/h3-6,12-13,19H,7-8H2,1-2H3/t12-,13-,15-/m1/s1
InChIKeySNBJXCIZTDQIQD-UMVBOHGHSA-N
MW275.30 g/mol
LogP1.20
Rot. Bonds1

About methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate

methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate (PubChem CID 46243283) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate
PubChem CID46243283
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)[C@@H]1c2ccccc2N2C(=O)CC[C@@](C)(O)[C@@H]12
InChIInChI=1S/C15H17NO4/c1-15(19)8-7-11(17)16-10-6-4-3-5-9(10)12(13(15)16)14(18)20-2/h3-6,12-13,19H,7-8H2,1-2H3/t12-,13-,15-/m1/s1
InChIKeySNBJXCIZTDQIQD-UMVBOHGHSA-N
XLogP1.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(9S,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indol-10-yl]acetonitrile
CID 44516168
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
methyl (8S,9S,10S,14R)-12,12-dimethyl-11,13-dioxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8-carboxylate
CID 10108224
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
methyl (2S,3S)-1-acetyl-2-phenyl-2,3-dihydroindole-3-carboxylate
CID 11652283
methyl (8S,10S,14R)-13-iminospiro[1,11-diazatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-triene-12,1'-cyclohexane]-10-carboxylate
CID 11738878
dimethyl (1R,2R,3R,4R)-2-(2-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 7066180
dimethyl (1R,2S,3S,4S)-2-(2-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 42564020
methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate
CID 15828687
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901

Frequently Asked Questions

What is the IUPAC name of methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate (CID 46243283) is methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate is COC(=O)[C@@H]1c2ccccc2N2C(=O)CC[C@@](C)(O)[C@@H]12.
What is the InChIKey of methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate?
The InChIKey is SNBJXCIZTDQIQD-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(19)8-7-11(17)16-10-6-4-3-5-9(10)12(13(15)16)14(18)20-2/h3-6,12-13,19H,7-8H2,1-2H3/t12-,13-,15-/m1/s1.
What are the key properties of methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate?
methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9R,9aR,10R)-9-hydroxy-9-methyl-6-oxo-7,8,9a,10-tetrahydropyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 46243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).