(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide

C13H12N2O — CID 170876867

IUPAC(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cccc(-n2cccc2)c1
InChIInChI=1S/C13H12N2O/c14-13(16)7-6-11-4-3-5-12(10-11)15-8-1-2-9-15/h1-10H,(H2,14,16)/b7-6-
InChIKeyYQNACMFHKVHUNW-SREVYHEPSA-N
MW212.25 g/mol
LogP1.98
Rot. Bonds3

About (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide

(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide (PubChem CID 170876867) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide
PubChem CID170876867
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cccc(-n2cccc2)c1
InChIInChI=1S/C13H12N2O/c14-13(16)7-6-11-4-3-5-12(10-11)15-8-1-2-9-15/h1-10H,(H2,14,16)/b7-6-
InChIKeyYQNACMFHKVHUNW-SREVYHEPSA-N
XLogP1.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide (CID 170876867) is (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide is NC(=O)/C=C\c1cccc(-n2cccc2)c1.
What is the InChIKey of (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide?
The InChIKey is YQNACMFHKVHUNW-SREVYHEPSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(16)7-6-11-4-3-5-12(10-11)15-8-1-2-9-15/h1-10H,(H2,14,16)/b7-6-.
What are the key properties of (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide?
(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170876867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).