2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide

C19H24N2O2 — CID 12894330

IUPAC2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCc1c2c(c(C)n1-c1ccc(O)cc1)C(C)(C(N)=O)CC2(C)C
InChIInChI=1S/C19H24N2O2/c1-11-15-16(19(5,17(20)23)10-18(15,3)4)12(2)21(11)13-6-8-14(22)9-7-13/h6-9,22H,10H2,1-5H3,(H2,20,23)
InChIKeyFEGJZRBOQVMMOH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.22
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide

2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide (PubChem CID 12894330) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide
PubChem CID12894330
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide
SMILESCc1c2c(c(C)n1-c1ccc(O)cc1)C(C)(C(N)=O)CC2(C)C
InChIInChI=1S/C19H24N2O2/c1-11-15-16(19(5,17(20)23)10-18(15,3)4)12(2)21(11)13-6-8-14(22)9-7-13/h6-9,22H,10H2,1-5H3,(H2,20,23)
InChIKeyFEGJZRBOQVMMOH-UHFFFAOYSA-N
XLogP3.22
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide (CID 12894330) is 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide is Cc1c2c(c(C)n1-c1ccc(O)cc1)C(C)(C(N)=O)CC2(C)C.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
The InChIKey is FEGJZRBOQVMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11-15-16(19(5,17(20)23)10-18(15,3)4)12(2)21(11)13-6-8-14(22)9-7-13/h6-9,22H,10H2,1-5H3,(H2,20,23).
What are the key properties of 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide?
2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrole-4-carboxamide is sourced from PubChem (CID 12894330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).