2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide

C20H18N2O — CID 90414431

IUPAC2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cccc(/C=C/c3ccccc3)c2)cc1C(N)=O
InChIInChI=1S/C20H18N2O/c1-14-18(20(21)23)13-19(22-14)17-9-5-8-16(12-17)11-10-15-6-3-2-4-7-15/h2-13,22H,1H3,(H2,21,23)/b11-10+
InChIKeyUWVNUANYVSDMIK-ZHACJKMWSA-N
MW302.38 g/mol
LogP4.26
Rot. Bonds4

About 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide

2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 90414431) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide
PubChem CID90414431
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cccc(/C=C/c3ccccc3)c2)cc1C(N)=O
InChIInChI=1S/C20H18N2O/c1-14-18(20(21)23)13-19(22-14)17-9-5-8-16(12-17)11-10-15-6-3-2-4-7-15/h2-13,22H,1H3,(H2,21,23)/b11-10+
InChIKeyUWVNUANYVSDMIK-ZHACJKMWSA-N
XLogP4.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide (CID 90414431) is 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2cccc(/C=C/c3ccccc3)c2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is UWVNUANYVSDMIK-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-18(20(21)23)13-19(22-14)17-9-5-8-16(12-17)11-10-15-6-3-2-4-7-15/h2-13,22H,1H3,(H2,21,23)/b11-10+.
What are the key properties of 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide?
2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90414431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).