(3-ethenyl-4-methylfuran-2-yl)methanimine

C8H9NO — CID 167500331

IUPAC(3-ethenyl-4-methylfuran-2-yl)methanimine
SMILES[H]/N=C/c1occ(C)c1C=C
InChIInChI=1S/C8H9NO/c1-3-7-6(2)5-10-8(7)4-9/h3-5,9H,1H2,2H3/b9-4+
InChIKeyOSHMUBHOQKORGB-RUDMXATFSA-N
MW135.17 g/mol
LogP2.23
Rot. Bonds2

About (3-ethenyl-4-methylfuran-2-yl)methanimine

(3-ethenyl-4-methylfuran-2-yl)methanimine (PubChem CID 167500331) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (3-ethenyl-4-methylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(3-ethenyl-4-methylfuran-2-yl)methanimine
PubChem CID167500331
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(3-ethenyl-4-methylfuran-2-yl)methanimine
SMILES[H]/N=C/c1occ(C)c1C=C
InChIInChI=1S/C8H9NO/c1-3-7-6(2)5-10-8(7)4-9/h3-5,9H,1H2,2H3/b9-4+
InChIKeyOSHMUBHOQKORGB-RUDMXATFSA-N
XLogP2.23
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.23
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

(3-methylfuran-2-yl)methanimine
CID 86750093
(2-ethenyl-4,6-dimethylphenyl)methanimine
CID 142023097
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine
CID 166750421
5,6-bis(ethenyl)-4-methylpyran-2-one
CID 134344614
4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene
CID 143659299
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
7-ethenyl-6-methanimidoyl-8,9-dimethylcarbazol-3-ol
CID 162754828
[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 166874365
[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
CID 145207353
4-methanimidoyl-5-methylbenzene-1,3-diol
CID 142579272

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-4-methylfuran-2-yl)methanimine?
The IUPAC name of (3-ethenyl-4-methylfuran-2-yl)methanimine (CID 167500331) is (3-ethenyl-4-methylfuran-2-yl)methanimine.
What is the SMILES notation for (3-ethenyl-4-methylfuran-2-yl)methanimine?
The canonical SMILES for (3-ethenyl-4-methylfuran-2-yl)methanimine is [H]/N=C/c1occ(C)c1C=C.
What is the InChIKey of (3-ethenyl-4-methylfuran-2-yl)methanimine?
The InChIKey is OSHMUBHOQKORGB-RUDMXATFSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-7-6(2)5-10-8(7)4-9/h3-5,9H,1H2,2H3/b9-4+.
What are the key properties of (3-ethenyl-4-methylfuran-2-yl)methanimine?
(3-ethenyl-4-methylfuran-2-yl)methanimine has a molecular weight of 135.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-4-methylfuran-2-yl)methanimine is sourced from PubChem (CID 167500331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).