N-(furan-3-ylmethyl)methanimine

C6H7NO — CID 154530628

IUPACN-(furan-3-ylmethyl)methanimine
SMILESC=NCc1ccoc1
InChIInChI=1S/C6H7NO/c1-7-4-6-2-3-8-5-6/h2-3,5H,1,4H2
InChIKeyNMFJEHRWDGVCGM-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.48
Rot. Bonds2

About N-(furan-3-ylmethyl)methanimine

N-(furan-3-ylmethyl)methanimine (PubChem CID 154530628) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)methanimine
PubChem CID154530628
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC NameN-(furan-3-ylmethyl)methanimine
SMILESC=NCc1ccoc1
InChIInChI=1S/C6H7NO/c1-7-4-6-2-3-8-5-6/h2-3,5H,1,4H2
InChIKeyNMFJEHRWDGVCGM-UHFFFAOYSA-N
XLogP1.48
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.48
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

ethane;3-ethylfuran;formaldehyde
CID 143985249
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
furan-3-ylmethyl-methyl-methylidene-λ4-sulfane
CID 123544669
3-ethylfuran;methanol
CID 174626479
3-[chloro(dideuterio)methyl]furan
CID 169436301
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
furan-3-ylmethanesulfonyl fluoride
CID 165483792
(E)-5-(furan-3-yl)pent-2-en-1-ol
CID 121419604
3-(ethoxymethyl)furan
CID 59154839
3-undecylfuran
CID 13123134
4-(furan-3-ylmethyl)phenol
CID 54190925

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)methanimine?
The IUPAC name of N-(furan-3-ylmethyl)methanimine (CID 154530628) is N-(furan-3-ylmethyl)methanimine.
What is the SMILES notation for N-(furan-3-ylmethyl)methanimine?
The canonical SMILES for N-(furan-3-ylmethyl)methanimine is C=NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)methanimine?
The InChIKey is NMFJEHRWDGVCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-7-4-6-2-3-8-5-6/h2-3,5H,1,4H2.
What are the key properties of N-(furan-3-ylmethyl)methanimine?
N-(furan-3-ylmethyl)methanimine has a molecular weight of 109.13 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)methanimine is sourced from PubChem (CID 154530628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).