2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine

C13H15NO — CID 144754678

IUPAC2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine
SMILESC1=CCOC1.[H]/N=C/C=C\c1ccccc1
InChIInChI=1S/C9H9N.C4H6O/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-5-3-1/h1-8,10H;1-2H,3-4H2/b7-4-,10-8+;
InChIKeyPMUFJRQQRMEGHQ-UWCUUEILSA-N
MW201.27 g/mol
LogP2.92
Rot. Bonds2

About 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine

2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine (PubChem CID 144754678) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine
PubChem CID144754678
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine
SMILESC1=CCOC1.[H]/N=C/C=C\c1ccccc1
InChIInChI=1S/C9H9N.C4H6O/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-5-3-1/h1-8,10H;1-2H,3-4H2/b7-4-,10-8+;
InChIKeyPMUFJRQQRMEGHQ-UWCUUEILSA-N
XLogP2.92
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
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[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2-chloroethenylbenzene;copper
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CID 23124540
CID 23124540
CID 11087023
CID 11087023
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
CID 70567885
CID 70567885
CID 70569152
CID 70569152
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
alumane;(E)-3-phenylprop-2-enal
CID 173462374
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine?
The IUPAC name of 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine (CID 144754678) is 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine?
The canonical SMILES for 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine is C1=CCOC1.[H]/N=C/C=C\c1ccccc1.
What is the InChIKey of 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine?
The InChIKey is PMUFJRQQRMEGHQ-UWCUUEILSA-N. The full InChI is InChI=1S/C9H9N.C4H6O/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-5-3-1/h1-8,10H;1-2H,3-4H2/b7-4-,10-8+;.
What are the key properties of 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine?
2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine has a molecular weight of 201.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 144754678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).