1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone

C19H16N2O2 — CID 126028963

IUPAC1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O2/c1-14(22)15-4-6-16(7-5-15)20-13-18-3-2-12-21(18)17-8-10-19(23)11-9-17/h2-13,23H,1H3/b20-13+
InChIKeyMKRVXXOFVBVQDW-DEDYPNTBSA-N
MW304.35 g/mol
LogP4.14
Rot. Bonds4

About 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone

1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone (PubChem CID 126028963) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone
PubChem CID126028963
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O2/c1-14(22)15-4-6-16(7-5-15)20-13-18-3-2-12-21(18)17-8-10-19(23)11-9-17/h2-13,23H,1H3/b20-13+
InChIKeyMKRVXXOFVBVQDW-DEDYPNTBSA-N
XLogP4.14
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone (CID 126028963) is 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone is CC(=O)c1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone?
The InChIKey is MKRVXXOFVBVQDW-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14(22)15-4-6-16(7-5-15)20-13-18-3-2-12-21(18)17-8-10-19(23)11-9-17/h2-13,23H,1H3/b20-13+.
What are the key properties of 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone?
1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone is sourced from PubChem (CID 126028963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).