dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate

C24H23NO5 — CID 45112222

IUPACdimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H23NO5/c1-14-10-11-25-18(12-14)19(23(27)29-2)20(24(28)30-3)21(25)22(26)17-9-8-15-6-4-5-7-16(15)13-17/h8-13H,4-7H2,1-3H3
InChIKeyRLHQYGWIERCVAQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.93
Rot. Bonds4

About dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate

dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate (PubChem CID 45112222) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate
PubChem CID45112222
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namedimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H23NO5/c1-14-10-11-25-18(12-14)19(23(27)29-2)20(24(28)30-3)21(25)22(26)17-9-8-15-6-4-5-7-16(15)13-17/h8-13H,4-7H2,1-3H3
InChIKeyRLHQYGWIERCVAQ-UHFFFAOYSA-N
XLogP3.93
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate?
The IUPAC name of dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate (CID 45112222) is dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate?
The canonical SMILES for dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate is COC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate?
The InChIKey is RLHQYGWIERCVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-14-10-11-25-18(12-14)19(23(27)29-2)20(24(28)30-3)21(25)22(26)17-9-8-15-6-4-5-7-16(15)13-17/h8-13H,4-7H2,1-3H3.
What are the key properties of dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate?
dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1,2-dicarboxylate is sourced from PubChem (CID 45112222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).