N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine

C19H19NO — CID 170239405

IUPACN-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
SMILESC/C=C(C)\N=C(/CC)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H19NO/c1-4-13(3)20-17(5-2)14-10-11-19-16(12-14)15-8-6-7-9-18(15)21-19/h4,6-12H,5H2,1-3H3/b13-4-,20-17+
InChIKeyUOGOEZLBRYDHMO-VHDHBGDVSA-N
MW277.37 g/mol
LogP5.71
Rot. Bonds3

About N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine

N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine (PubChem CID 170239405) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
PubChem CID170239405
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
SMILESC/C=C(C)\N=C(/CC)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H19NO/c1-4-13(3)20-17(5-2)14-10-11-19-16(12-14)15-8-6-7-9-18(15)21-19/h4,6-12H,5H2,1-3H3/b13-4-,20-17+
InChIKeyUOGOEZLBRYDHMO-VHDHBGDVSA-N
XLogP5.71
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine with MolForge

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Related Compounds

2-prop-1-en-2-yldibenzofuran
CID 142504770
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
CID 54109960
N-propyldibenzofuran-2-carboxamide
CID 19048225
2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
CID 163980863
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
dibenzofuran;ethanol
CID 174821059
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
methyl dibenzofuran-2-carboxylate
CID 3702628
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 170789345

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine (CID 170239405) is N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine is C/C=C(C)\N=C(/CC)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine?
The InChIKey is UOGOEZLBRYDHMO-VHDHBGDVSA-N. The full InChI is InChI=1S/C19H19NO/c1-4-13(3)20-17(5-2)14-10-11-19-16(12-14)15-8-6-7-9-18(15)21-19/h4,6-12H,5H2,1-3H3/b13-4-,20-17+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine?
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine has a molecular weight of 277.37 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine is sourced from PubChem (CID 170239405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).