6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C18H22N2O4 — CID 70410413

IUPAC6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESCCCOc1ccc(C(=O)c2c(C)cc3n2CCC3C(=O)O)n1C
InChIInChI=1S/C18H22N2O4/c1-4-9-24-15-6-5-13(19(15)3)17(21)16-11(2)10-14-12(18(22)23)7-8-20(14)16/h5-6,10,12H,4,7-9H2,1-3H3,(H,22,23)
InChIKeyPQKUHZKSSIHJFT-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.73
Rot. Bonds6

About 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 70410413) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID70410413
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESCCCOc1ccc(C(=O)c2c(C)cc3n2CCC3C(=O)O)n1C
InChIInChI=1S/C18H22N2O4/c1-4-9-24-15-6-5-13(19(15)3)17(21)16-11(2)10-14-12(18(22)23)7-8-20(14)16/h5-6,10,12H,4,7-9H2,1-3H3,(H,22,23)
InChIKeyPQKUHZKSSIHJFT-UHFFFAOYSA-N
XLogP2.73
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 70410413) is 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is CCCOc1ccc(C(=O)c2c(C)cc3n2CCC3C(=O)O)n1C.
What is the InChIKey of 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is PQKUHZKSSIHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-9-24-15-6-5-13(19(15)3)17(21)16-11(2)10-14-12(18(22)23)7-8-20(14)16/h5-6,10,12H,4,7-9H2,1-3H3,(H,22,23).
What are the key properties of 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 70410413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).