N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide

C15H21FN2O — CID 87514918

IUPACN-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide
SMILESC=C/C(=C\C=C(/C)F)CC(C#N)(CC)CCNC=O
InChIInChI=1S/C15H21FN2O/c1-4-14(7-6-13(3)16)10-15(5-2,11-17)8-9-18-12-19/h4,6-7,12H,1,5,8-10H2,2-3H3,(H,18,19)/b13-6+,14-7+
InChIKeyLXTYTBDXNZFHTR-AANLELRNSA-N
MW264.34 g/mol
LogP3.42
Rot. Bonds9

About N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide

N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide (PubChem CID 87514918) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide.

Molecular Properties

Compound NameN-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide
PubChem CID87514918
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide
SMILESC=C/C(=C\C=C(/C)F)CC(C#N)(CC)CCNC=O
InChIInChI=1S/C15H21FN2O/c1-4-14(7-6-13(3)16)10-15(5-2,11-17)8-9-18-12-19/h4,6-7,12H,1,5,8-10H2,2-3H3,(H,18,19)/b13-6+,14-7+
InChIKeyLXTYTBDXNZFHTR-AANLELRNSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide?
The IUPAC name of N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide (CID 87514918) is N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide.
What is the SMILES notation for N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide?
The canonical SMILES for N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide is C=C/C(=C\C=C(/C)F)CC(C#N)(CC)CCNC=O.
What is the InChIKey of N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide?
The InChIKey is LXTYTBDXNZFHTR-AANLELRNSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-14(7-6-13(3)16)10-15(5-2,11-17)8-9-18-12-19/h4,6-7,12H,1,5,8-10H2,2-3H3,(H,18,19)/b13-6+,14-7+.
What are the key properties of N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide?
N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide has a molecular weight of 264.34 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,7E)-3-cyano-5-ethenyl-3-ethyl-8-fluoronona-5,7-dienyl]formamide is sourced from PubChem (CID 87514918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).