propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

C16H22N2O4 — CID 6489167

IUPACpropan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2C
InChIInChI=1S/C16H22N2O4/c1-10(2)21-15(19)9-18-12-6-7-17(5)13(12)8-14(18)16(20)22-11(3)4/h6-8,10-11H,9H2,1-5H3
InChIKeySELJNZSCUSNGOW-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.50
Rot. Bonds5

About propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 6489167) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID6489167
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namepropan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2C
InChIInChI=1S/C16H22N2O4/c1-10(2)21-15(19)9-18-12-6-7-17(5)13(12)8-14(18)16(20)22-11(3)4/h6-8,10-11H,9H2,1-5H3
InChIKeySELJNZSCUSNGOW-UHFFFAOYSA-N
XLogP2.50
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate (CID 6489167) is propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate is CC(C)OC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2C.
What is the InChIKey of propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SELJNZSCUSNGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10(2)21-15(19)9-18-12-6-7-17(5)13(12)8-14(18)16(20)22-11(3)4/h6-8,10-11H,9H2,1-5H3.
What are the key properties of propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate?
propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6489167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).