4-methyldibenzofuran;(Z)-pent-3-en-2-imine

C18H19NO — CID 145299521

IUPAC4-methyldibenzofuran;(Z)-pent-3-en-2-imine
SMILESCc1cccc2c1oc1ccccc12.[H]/N=C(C)/C=C\C
InChIInChI=1S/C13H10O.C5H9N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-3-4-5(2)6/h2-8H,1H3;3-4,6H,1-2H3/b;4-3-,6-5+
InChIKeyXQYTXZCGPWMPCY-YOTQJPDSSA-N
MW265.36 g/mol
LogP5.50
Rot. Bonds1

About 4-methyldibenzofuran;(Z)-pent-3-en-2-imine

4-methyldibenzofuran;(Z)-pent-3-en-2-imine (PubChem CID 145299521) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyldibenzofuran;(Z)-pent-3-en-2-imine.

Molecular Properties

Compound Name4-methyldibenzofuran;(Z)-pent-3-en-2-imine
PubChem CID145299521
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-methyldibenzofuran;(Z)-pent-3-en-2-imine
SMILESCc1cccc2c1oc1ccccc12.[H]/N=C(C)/C=C\C
InChIInChI=1S/C13H10O.C5H9N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-3-4-5(2)6/h2-8H,1H3;3-4,6H,1-2H3/b;4-3-,6-5+
InChIKeyXQYTXZCGPWMPCY-YOTQJPDSSA-N
XLogP5.50
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-4-carboximidamide
CID 142482098
4-[1-(2-methylphenyl)ethenyl]dibenzofuran
CID 144645412
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran
CID 142201060
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine
CID 145027861
1-dibenzofuran-4-ylethanone
CID 15691981
3,6-dimethyldibenzofuran;ethane
CID 142097287
benzylbenzene;4-methyldibenzofuran;9-phenylcarbazole-4-carboximidamide
CID 142504971
1-iodo-6-methyldibenzofuran
CID 137496766
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
4-pent-2-en-2-yldibenzofuran
CID 123566469
1,3-dichloro-6-methyldibenzofuran
CID 526434

Frequently Asked Questions

What is the IUPAC name of 4-methyldibenzofuran;(Z)-pent-3-en-2-imine?
The IUPAC name of 4-methyldibenzofuran;(Z)-pent-3-en-2-imine (CID 145299521) is 4-methyldibenzofuran;(Z)-pent-3-en-2-imine.
What is the SMILES notation for 4-methyldibenzofuran;(Z)-pent-3-en-2-imine?
The canonical SMILES for 4-methyldibenzofuran;(Z)-pent-3-en-2-imine is Cc1cccc2c1oc1ccccc12.[H]/N=C(C)/C=C\C.
What is the InChIKey of 4-methyldibenzofuran;(Z)-pent-3-en-2-imine?
The InChIKey is XQYTXZCGPWMPCY-YOTQJPDSSA-N. The full InChI is InChI=1S/C13H10O.C5H9N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-3-4-5(2)6/h2-8H,1H3;3-4,6H,1-2H3/b;4-3-,6-5+.
What are the key properties of 4-methyldibenzofuran;(Z)-pent-3-en-2-imine?
4-methyldibenzofuran;(Z)-pent-3-en-2-imine has a molecular weight of 265.36 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldibenzofuran;(Z)-pent-3-en-2-imine is sourced from PubChem (CID 145299521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).