1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine

C10H10N2O — CID 157417603

IUPAC1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine
SMILESCc1ccc(/C=N/C2=CN=CC2)o1
InChIInChI=1S/C10H10N2O/c1-8-2-3-10(13-8)7-12-9-4-5-11-6-9/h2-3,5-7H,4H2,1H3/b12-7+
InChIKeyTULCIJQLOPVANZ-KPKJPENVSA-N
MW174.20 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine

1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine (PubChem CID 157417603) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine
PubChem CID157417603
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine
SMILESCc1ccc(/C=N/C2=CN=CC2)o1
InChIInChI=1S/C10H10N2O/c1-8-2-3-10(13-8)7-12-9-4-5-11-6-9/h2-3,5-7H,4H2,1H3/b12-7+
InChIKeyTULCIJQLOPVANZ-KPKJPENVSA-N
XLogP2.32
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
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-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine (CID 157417603) is 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine is Cc1ccc(/C=N/C2=CN=CC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine?
The InChIKey is TULCIJQLOPVANZ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-2-3-10(13-8)7-12-9-4-5-11-6-9/h2-3,5-7H,4H2,1H3/b12-7+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine?
1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine has a molecular weight of 174.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(3H-pyrrol-4-yl)methanimine is sourced from PubChem (CID 157417603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).