1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol

C15H14N2O2 — CID 135415468

IUPAC1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1Cc1ccco1
InChIInChI=1S/C15H14N2O2/c16-15-14(11-5-2-1-3-6-11)13(18)10-17(15)9-12-7-4-8-19-12/h1-8,16,18H,9-10H2/b16-15-
InChIKeyYVOWUSCHCKUBNF-NXVVXOECSA-N
MW254.29 g/mol
LogP3.04
Rot. Bonds3

About 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol

1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135415468) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
PubChem CID135415468
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1Cc1ccco1
InChIInChI=1S/C15H14N2O2/c16-15-14(11-5-2-1-3-6-11)13(18)10-17(15)9-12-7-4-8-19-12/h1-8,16,18H,9-10H2/b16-15-
InChIKeyYVOWUSCHCKUBNF-NXVVXOECSA-N
XLogP3.04
TPSA60.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (CID 135415468) is 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The InChIKey is YVOWUSCHCKUBNF-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-15-14(11-5-2-1-3-6-11)13(18)10-17(15)9-12-7-4-8-19-12/h1-8,16,18H,9-10H2/b16-15-.
What are the key properties of 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 254.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135415468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).