(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid

C13H11NO2 — CID 23653177

IUPAC(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(16)12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9,14H,(H,15,16)/b12-9-
InChIKeyQMPHLGDDLMWYET-XFXZXTDPSA-N
MW213.24 g/mol
LogP2.64
Rot. Bonds3

About (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid

(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid (PubChem CID 23653177) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid
PubChem CID23653177
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(16)12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9,14H,(H,15,16)/b12-9-
InChIKeyQMPHLGDDLMWYET-XFXZXTDPSA-N
XLogP2.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid (CID 23653177) is (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc[nH]1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
The InChIKey is QMPHLGDDLMWYET-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9,14H,(H,15,16)/b12-9-.
What are the key properties of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid?
(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid has a molecular weight of 213.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid is sourced from PubChem (CID 23653177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).