ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate

C18H20N2O3 — CID 147639274

IUPACethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1nc(C)ccc1[C@H]2C(C)C
InChIInChI=1S/C18H20N2O3/c1-5-23-18(22)13-9-20-14(8-15(13)21)16-12(17(20)10(2)3)7-6-11(4)19-16/h6-10,17H,5H2,1-4H3/t17-/m1/s1
InChIKeyGHHHHVHRZPOTNX-QGZVFWFLSA-N
MW312.37 g/mol
LogP2.95
Rot. Bonds3

About ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate

ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate (PubChem CID 147639274) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate
PubChem CID147639274
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1nc(C)ccc1[C@H]2C(C)C
InChIInChI=1S/C18H20N2O3/c1-5-23-18(22)13-9-20-14(8-15(13)21)16-12(17(20)10(2)3)7-6-11(4)19-16/h6-10,17H,5H2,1-4H3/t17-/m1/s1
InChIKeyGHHHHVHRZPOTNX-QGZVFWFLSA-N
XLogP2.95
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate?
The IUPAC name of ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate (CID 147639274) is ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate.
What is the SMILES notation for ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate?
The canonical SMILES for ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1nc(C)ccc1[C@H]2C(C)C.
What is the InChIKey of ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate?
The InChIKey is GHHHHVHRZPOTNX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-5-23-18(22)13-9-20-14(8-15(13)21)16-12(17(20)10(2)3)7-6-11(4)19-16/h6-10,17H,5H2,1-4H3/t17-/m1/s1.
What are the key properties of ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate?
ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate is sourced from PubChem (CID 147639274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).