N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide

C10H16FNO — CID 89073491

IUPACN-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
SMILESC=CCC(/C=C(\C)F)CNC(C)=O
InChIInChI=1S/C10H16FNO/c1-4-5-10(6-8(2)11)7-12-9(3)13/h4,6,10H,1,5,7H2,2-3H3,(H,12,13)/b8-6+
InChIKeyYRRATPIKFQIECD-SOFGYWHQSA-N
MW185.24 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide

N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide (PubChem CID 89073491) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
PubChem CID89073491
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
SMILESC=CCC(/C=C(\C)F)CNC(C)=O
InChIInChI=1S/C10H16FNO/c1-4-5-10(6-8(2)11)7-12-9(3)13/h4,6,10H,1,5,7H2,2-3H3,(H,12,13)/b8-6+
InChIKeyYRRATPIKFQIECD-SOFGYWHQSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide?
The IUPAC name of N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide (CID 89073491) is N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide.
What is the SMILES notation for N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide?
The canonical SMILES for N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide is C=CCC(/C=C(\C)F)CNC(C)=O.
What is the InChIKey of N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide?
The InChIKey is YRRATPIKFQIECD-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-5-10(6-8(2)11)7-12-9(3)13/h4,6,10H,1,5,7H2,2-3H3,(H,12,13)/b8-6+.
What are the key properties of N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide?
N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide has a molecular weight of 185.24 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide is sourced from PubChem (CID 89073491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).