(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid

C9H15FN2O2 — CID 142092307

IUPAC(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid
SMILESC/C(N)=N\C/C=C(/F)CCCC(=O)O
InChIInChI=1S/C9H15FN2O2/c1-7(11)12-6-5-8(10)3-2-4-9(13)14/h5H,2-4,6H2,1H3,(H2,11,12)(H,13,14)/b8-5+
InChIKeyXCJOUGCZHBQUJA-VMPITWQZSA-N
MW202.23 g/mol
LogP1.47
Rot. Bonds6

About (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid

(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid (PubChem CID 142092307) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid
PubChem CID142092307
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid
SMILESC/C(N)=N\C/C=C(/F)CCCC(=O)O
InChIInChI=1S/C9H15FN2O2/c1-7(11)12-6-5-8(10)3-2-4-9(13)14/h5H,2-4,6H2,1H3,(H2,11,12)(H,13,14)/b8-5+
InChIKeyXCJOUGCZHBQUJA-VMPITWQZSA-N
XLogP1.47
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetamide;pentanedioic acid
CID 160895913
methyl 2-amino-7-(1-aminoethylideneamino)-5-fluoro-2-methylhept-5-enoate;dihydrochloride
CID 175236282
(5Z,8E,14E)-5-fluoroicosa-5,8,14-trienoic acid
CID 19879260
(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane
CID 142225130
hydrazine;pentanedioic acid;dihydrate
CID 172730564
acetamide;butanedioic acid
CID 175267619
chloromethane;pentanedioic acid
CID 159659659
hexanedioic acid;propan-2-one
CID 158520683
azane;bis(pentanedioic acid)
CID 138524332
erbium;pentanedioic acid
CID 87931794
pentanedioic acid;stibane
CID 173344083
CID 87067075
CID 87067075

Frequently Asked Questions

What is the IUPAC name of (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid?
The IUPAC name of (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid (CID 142092307) is (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid.
What is the SMILES notation for (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid?
The canonical SMILES for (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid is C/C(N)=N\C/C=C(/F)CCCC(=O)O.
What is the InChIKey of (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid?
The InChIKey is XCJOUGCZHBQUJA-VMPITWQZSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-7(11)12-6-5-8(10)3-2-4-9(13)14/h5H,2-4,6H2,1H3,(H2,11,12)(H,13,14)/b8-5+.
What are the key properties of (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid?
(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid has a molecular weight of 202.23 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid is sourced from PubChem (CID 142092307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).