N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine

C19H17NO — CID 164569182

IUPACN-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine
SMILESC=N/C(c1ccccc1)=c1/oc2ccccc2/c1=C\CC
InChIInChI=1S/C19H17NO/c1-3-9-16-15-12-7-8-13-17(15)21-19(16)18(20-2)14-10-5-4-6-11-14/h4-13H,2-3H2,1H3/b16-9+,19-18+
InChIKeyJCPRSMXQPYCKIA-KLZNXHHISA-N
MW275.35 g/mol
LogP3.48
Rot. Bonds3

About N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine

N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine (PubChem CID 164569182) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine
PubChem CID164569182
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC NameN-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine
SMILESC=N/C(c1ccccc1)=c1/oc2ccccc2/c1=C\CC
InChIInChI=1S/C19H17NO/c1-3-9-16-15-12-7-8-13-17(15)21-19(16)18(20-2)14-10-5-4-6-11-14/h4-13H,2-3H2,1H3/b16-9+,19-18+
InChIKeyJCPRSMXQPYCKIA-KLZNXHHISA-N
XLogP3.48
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 826600
CID 826600
CID 14853172
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CID 11120819
CID 11120819
CID 12446787
CID 12446787
CID 14242573
CID 14242573
CID 72760871
CID 72760871
CID 22483132
CID 22483132
CID 123458805
CID 123458805
CID 144156665
CID 144156665
CID 102375031
CID 102375031
CID 129789124
CID 129789124
CID 135004095
CID 135004095

Frequently Asked Questions

What is the IUPAC name of N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine?
The IUPAC name of N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine (CID 164569182) is N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine.
What is the SMILES notation for N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine?
The canonical SMILES for N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine is C=N/C(c1ccccc1)=c1/oc2ccccc2/c1=C\CC.
What is the InChIKey of N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine?
The InChIKey is JCPRSMXQPYCKIA-KLZNXHHISA-N. The full InChI is InChI=1S/C19H17NO/c1-3-9-16-15-12-7-8-13-17(15)21-19(16)18(20-2)14-10-5-4-6-11-14/h4-13H,2-3H2,1H3/b16-9+,19-18+.
What are the key properties of N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine?
N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine has a molecular weight of 275.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-phenyl-[(3E)-3-propylidene-1-benzofuran-2-ylidene]methyl]methanimine is sourced from PubChem (CID 164569182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).