3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide

C18H22N2O2 — CID 12894352

IUPAC3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCC1(C)CC(C)(C(N)=O)c2c1cn(-c1ccccc1)c2CO
InChIInChI=1S/C18H22N2O2/c1-17(2)11-18(3,16(19)22)15-13(17)9-20(14(15)10-21)12-7-5-4-6-8-12/h4-9,21H,10-11H2,1-3H3,(H2,19,22)
InChIKeyQQCIWKUPAYNXET-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.39
Rot. Bonds3

About 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide

3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide (PubChem CID 12894352) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
PubChem CID12894352
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCC1(C)CC(C)(C(N)=O)c2c1cn(-c1ccccc1)c2CO
InChIInChI=1S/C18H22N2O2/c1-17(2)11-18(3,16(19)22)15-13(17)9-20(14(15)10-21)12-7-5-4-6-8-12/h4-9,21H,10-11H2,1-3H3,(H2,19,22)
InChIKeyQQCIWKUPAYNXET-UHFFFAOYSA-N
XLogP2.39
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide (CID 12894352) is 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide is CC1(C)CC(C)(C(N)=O)c2c1cn(-c1ccccc1)c2CO.
What is the InChIKey of 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The InChIKey is QQCIWKUPAYNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-17(2)11-18(3,16(19)22)15-13(17)9-20(14(15)10-21)12-7-5-4-6-8-12/h4-9,21H,10-11H2,1-3H3,(H2,19,22).
What are the key properties of 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide is sourced from PubChem (CID 12894352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).