(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide

C13H23FN2O — CID 145077821

IUPAC(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
SMILESCC/C=C\C(CCC(=O)N[C@H](C)CN)=C(/C)F
InChIInChI=1S/C13H23FN2O/c1-4-5-6-12(11(3)14)7-8-13(17)16-10(2)9-15/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,17)/b6-5-,12-11-/t10-/m1/s1
InChIKeyFNEWZFMPBRPXIZ-IRPAYILSSA-N
MW242.34 g/mol
LogP2.44
Rot. Bonds7

About (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide

(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide (PubChem CID 145077821) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide.

Molecular Properties

Compound Name(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
PubChem CID145077821
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
SMILESCC/C=C\C(CCC(=O)N[C@H](C)CN)=C(/C)F
InChIInChI=1S/C13H23FN2O/c1-4-5-6-12(11(3)14)7-8-13(17)16-10(2)9-15/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,17)/b6-5-,12-11-/t10-/m1/s1
InChIKeyFNEWZFMPBRPXIZ-IRPAYILSSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide?
The IUPAC name of (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide (CID 145077821) is (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide.
What is the SMILES notation for (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide?
The canonical SMILES for (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide is CC/C=C\C(CCC(=O)N[C@H](C)CN)=C(/C)F.
What is the InChIKey of (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide?
The InChIKey is FNEWZFMPBRPXIZ-IRPAYILSSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-4-5-6-12(11(3)14)7-8-13(17)16-10(2)9-15/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,17)/b6-5-,12-11-/t10-/m1/s1.
What are the key properties of (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide?
(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide has a molecular weight of 242.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide is sourced from PubChem (CID 145077821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).