ethane;1-(furan-2-yl)-N-phenylmethanimine

C13H15NO — CID 160534475

IUPACethane;1-(furan-2-yl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccco1.CC
InChIInChI=1S/C11H9NO.C2H6/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11;1-2/h1-9H;1-2H3/b12-9+;
InChIKeyQVYVWCILQKKDMV-NBYYMMLRSA-N
MW201.27 g/mol
LogP4.06
Rot. Bonds2

About ethane;1-(furan-2-yl)-N-phenylmethanimine

ethane;1-(furan-2-yl)-N-phenylmethanimine (PubChem CID 160534475) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is ethane;1-(furan-2-yl)-N-phenylmethanimine.

Molecular Properties

Compound Nameethane;1-(furan-2-yl)-N-phenylmethanimine
PubChem CID160534475
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Nameethane;1-(furan-2-yl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccco1.CC
InChIInChI=1S/C11H9NO.C2H6/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11;1-2/h1-9H;1-2H3/b12-9+;
InChIKeyQVYVWCILQKKDMV-NBYYMMLRSA-N
XLogP4.06
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 54.06
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

1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine
CID 961444
4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide
CID 71360263
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
(E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine
CID 13285530
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
CID 850160
(E,Z)-N-[(E)-furan-2-ylmethylideneamino]-2-methyl-3-phenylprop-2-en-1-imine
CID 54606331
1-(furan-2-yl)-N-[(2S)-1-phenylpropan-2-yl]methanimine
CID 10465809
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
CID 11206226

Frequently Asked Questions

What is the IUPAC name of ethane;1-(furan-2-yl)-N-phenylmethanimine?
The IUPAC name of ethane;1-(furan-2-yl)-N-phenylmethanimine (CID 160534475) is ethane;1-(furan-2-yl)-N-phenylmethanimine.
What is the SMILES notation for ethane;1-(furan-2-yl)-N-phenylmethanimine?
The canonical SMILES for ethane;1-(furan-2-yl)-N-phenylmethanimine is C(=N/c1ccccc1)\c1ccco1.CC.
What is the InChIKey of ethane;1-(furan-2-yl)-N-phenylmethanimine?
The InChIKey is QVYVWCILQKKDMV-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H9NO.C2H6/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11;1-2/h1-9H;1-2H3/b12-9+;.
What are the key properties of ethane;1-(furan-2-yl)-N-phenylmethanimine?
ethane;1-(furan-2-yl)-N-phenylmethanimine has a molecular weight of 201.27 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(furan-2-yl)-N-phenylmethanimine is sourced from PubChem (CID 160534475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).