(E)-4-(furan-2-yl)non-2-enenitrile

C13H17NO — CID 10375618

IUPAC(E)-4-(furan-2-yl)non-2-enenitrile
SMILESCCCCCC(/C=C/C#N)c1ccco1
InChIInChI=1S/C13H17NO/c1-2-3-4-7-12(8-5-10-14)13-9-6-11-15-13/h5-6,8-9,11-12H,2-4,7H2,1H3/b8-5+
InChIKeyMMGFNZCQDULLMF-VMPITWQZSA-N
MW203.28 g/mol
LogP4.02
Rot. Bonds6

About (E)-4-(furan-2-yl)non-2-enenitrile

(E)-4-(furan-2-yl)non-2-enenitrile (PubChem CID 10375618) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-4-(furan-2-yl)non-2-enenitrile.

Molecular Properties

Compound Name(E)-4-(furan-2-yl)non-2-enenitrile
PubChem CID10375618
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-4-(furan-2-yl)non-2-enenitrile
SMILESCCCCCC(/C=C/C#N)c1ccco1
InChIInChI=1S/C13H17NO/c1-2-3-4-7-12(8-5-10-14)13-9-6-11-15-13/h5-6,8-9,11-12H,2-4,7H2,1H3/b8-5+
InChIKeyMMGFNZCQDULLMF-VMPITWQZSA-N
XLogP4.02
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)tridecanal
CID 175449616
1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
2-(furan-2-yl)pentanenitrile
CID 165359033
1-(furan-2-yl)-2-methyloctan-1-ol
CID 44721006
4-hydroxydec-2-enenitrile
CID 73187760
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081

Frequently Asked Questions

What is the IUPAC name of (E)-4-(furan-2-yl)non-2-enenitrile?
The IUPAC name of (E)-4-(furan-2-yl)non-2-enenitrile (CID 10375618) is (E)-4-(furan-2-yl)non-2-enenitrile.
What is the SMILES notation for (E)-4-(furan-2-yl)non-2-enenitrile?
The canonical SMILES for (E)-4-(furan-2-yl)non-2-enenitrile is CCCCCC(/C=C/C#N)c1ccco1.
What is the InChIKey of (E)-4-(furan-2-yl)non-2-enenitrile?
The InChIKey is MMGFNZCQDULLMF-VMPITWQZSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-7-12(8-5-10-14)13-9-6-11-15-13/h5-6,8-9,11-12H,2-4,7H2,1H3/b8-5+.
What are the key properties of (E)-4-(furan-2-yl)non-2-enenitrile?
(E)-4-(furan-2-yl)non-2-enenitrile has a molecular weight of 203.28 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(furan-2-yl)non-2-enenitrile is sourced from PubChem (CID 10375618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).