propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate

C19H21BrN2O2 — CID 138733367

IUPACpropan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)n1cccc1
InChIInChI=1S/C19H21BrN2O2/c1-12(2)24-19(23)17-10-16-9-15(20)11-22(16)18(13(17)3)14(4)21-7-5-6-8-21/h5-12,14H,1-4H3
InChIKeyUPSSQYWZIYSUFE-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.99
Rot. Bonds4

About propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate

propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate (PubChem CID 138733367) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate
PubChem CID138733367
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Namepropan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)n1cccc1
InChIInChI=1S/C19H21BrN2O2/c1-12(2)24-19(23)17-10-16-9-15(20)11-22(16)18(13(17)3)14(4)21-7-5-6-8-21/h5-12,14H,1-4H3
InChIKeyUPSSQYWZIYSUFE-UHFFFAOYSA-N
XLogP4.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate (CID 138733367) is propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)n1cccc1.
What is the InChIKey of propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate?
The InChIKey is UPSSQYWZIYSUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12(2)24-19(23)17-10-16-9-15(20)11-22(16)18(13(17)3)14(4)21-7-5-6-8-21/h5-12,14H,1-4H3.
What are the key properties of propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate?
propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate has a molecular weight of 389.29 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate is sourced from PubChem (CID 138733367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).