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

C19H22N2O2 — CID 1450722

IUPACpropan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C
InChIInChI=1S/C19H22N2O2/c1-13(2)23-19(22)18-11-17-16(9-10-20(17)4)21(18)12-15-8-6-5-7-14(15)3/h5-11,13H,12H2,1-4H3
InChIKeyDVTKZZXPXFTCQW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.90
Rot. Bonds4

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

propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1450722) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID1450722
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namepropan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C
InChIInChI=1S/C19H22N2O2/c1-13(2)23-19(22)18-11-17-16(9-10-20(17)4)21(18)12-15-8-6-5-7-14(15)3/h5-11,13H,12H2,1-4H3
InChIKeyDVTKZZXPXFTCQW-UHFFFAOYSA-N
XLogP3.90
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate (CID 1450722) is propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate is Cc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C.
What is the InChIKey of propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is DVTKZZXPXFTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)23-19(22)18-11-17-16(9-10-20(17)4)21(18)12-15-8-6-5-7-14(15)3/h5-11,13H,12H2,1-4H3.
What are the key properties of propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate?
propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methyl-4-[(2-methylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1450722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).