dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate

C18H19NO5 — CID 1473410

IUPACdimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n2c1CCC2
InChIInChI=1S/C18H19NO5/c1-22-12-8-6-11(7-9-12)16-15(18(21)24-3)14(17(20)23-2)13-5-4-10-19(13)16/h6-9H,4-5,10H2,1-3H3
InChIKeyPFQGEHCYRPLWPR-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.68
Rot. Bonds4

About dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate

dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate (PubChem CID 1473410) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
PubChem CID1473410
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namedimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n2c1CCC2
InChIInChI=1S/C18H19NO5/c1-22-12-8-6-11(7-9-12)16-15(18(21)24-3)14(17(20)23-2)13-5-4-10-19(13)16/h6-9H,4-5,10H2,1-3H3
InChIKeyPFQGEHCYRPLWPR-UHFFFAOYSA-N
XLogP2.68
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate (CID 1473410) is dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate is COC(=O)c1c(C(=O)OC)c(-c2ccc(OC)cc2)n2c1CCC2.
What is the InChIKey of dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
The InChIKey is PFQGEHCYRPLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-12-8-6-11(7-9-12)16-15(18(21)24-3)14(17(20)23-2)13-5-4-10-19(13)16/h6-9H,4-5,10H2,1-3H3.
What are the key properties of dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate is sourced from PubChem (CID 1473410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).