5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one

C27H28N2O3 — CID 69081708

IUPAC5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C27H28N2O3/c1-17-14-23(26-24(31-3)10-7-11-25(26)32-4)29(27(17)30)16-18-12-13-22-20(15-18)19-8-5-6-9-21(19)28(22)2/h5-13,15,17,23H,14,16H2,1-4H3
InChIKeyQBFVICIPVCMJGN-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.46
Rot. Bonds5

About 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one (PubChem CID 69081708) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one
PubChem CID69081708
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C27H28N2O3/c1-17-14-23(26-24(31-3)10-7-11-25(26)32-4)29(27(17)30)16-18-12-13-22-20(15-18)19-8-5-6-9-21(19)28(22)2/h5-13,15,17,23H,14,16H2,1-4H3
InChIKeyQBFVICIPVCMJGN-UHFFFAOYSA-N
XLogP5.46
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one (CID 69081708) is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2c(c1)c1ccccc1n2C.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is QBFVICIPVCMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-17-14-23(26-24(31-3)10-7-11-25(26)32-4)29(27(17)30)16-18-12-13-22-20(15-18)19-8-5-6-9-21(19)28(22)2/h5-13,15,17,23H,14,16H2,1-4H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 428.53 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(9-methylcarbazol-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69081708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).