1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide

C19H24N2O3 — CID 12607184

IUPAC1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCC1(C)CC(C)(C(N)=O)c2c1c(CO)n(-c1ccccc1)c2CO
InChIInChI=1S/C19H24N2O3/c1-18(2)11-19(3,17(20)24)16-14(10-23)21(13(9-22)15(16)18)12-7-5-4-6-8-12/h4-8,22-23H,9-11H2,1-3H3,(H2,20,24)
InChIKeyAWTOPQJLSISKNP-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.89
Rot. Bonds4

About 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide

1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide (PubChem CID 12607184) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
PubChem CID12607184
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCC1(C)CC(C)(C(N)=O)c2c1c(CO)n(-c1ccccc1)c2CO
InChIInChI=1S/C19H24N2O3/c1-18(2)11-19(3,17(20)24)16-14(10-23)21(13(9-22)15(16)18)12-7-5-4-6-8-12/h4-8,22-23H,9-11H2,1-3H3,(H2,20,24)
InChIKeyAWTOPQJLSISKNP-UHFFFAOYSA-N
XLogP1.89
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The IUPAC name of 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide (CID 12607184) is 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The canonical SMILES for 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide is CC1(C)CC(C)(C(N)=O)c2c1c(CO)n(-c1ccccc1)c2CO.
What is the InChIKey of 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The InChIKey is AWTOPQJLSISKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-18(2)11-19(3,17(20)24)16-14(10-23)21(13(9-22)15(16)18)12-7-5-4-6-8-12/h4-8,22-23H,9-11H2,1-3H3,(H2,20,24).
What are the key properties of 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide is sourced from PubChem (CID 12607184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).