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

C19H24N2O2 — CID 12607178

IUPAC3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCc1c2c(c(CO)n1-c1ccccc1)C(C)(C(N)=O)CC2(C)C
InChIInChI=1S/C19H24N2O2/c1-12-15-16(19(4,17(20)23)11-18(15,2)3)14(10-22)21(12)13-8-6-5-7-9-13/h5-9,22H,10-11H2,1-4H3,(H2,20,23)
InChIKeyYGORXXPVODJCCZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.70
Rot. Bonds3

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

3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide (PubChem CID 12607178) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
PubChem CID12607178
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCc1c2c(c(CO)n1-c1ccccc1)C(C)(C(N)=O)CC2(C)C
InChIInChI=1S/C19H24N2O2/c1-12-15-16(19(4,17(20)23)11-18(15,2)3)14(10-22)21(12)13-8-6-5-7-9-13/h5-9,22H,10-11H2,1-4H3,(H2,20,23)
InChIKeyYGORXXPVODJCCZ-UHFFFAOYSA-N
XLogP2.70
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide (CID 12607178) is 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide is Cc1c2c(c(CO)n1-c1ccccc1)C(C)(C(N)=O)CC2(C)C.
What is the InChIKey of 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The InChIKey is YGORXXPVODJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-15-16(19(4,17(20)23)11-18(15,2)3)14(10-22)21(12)13-8-6-5-7-9-13/h5-9,22H,10-11H2,1-4H3,(H2,20,23).
What are the key properties of 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide is sourced from PubChem (CID 12607178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).