(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide

C14H22FNO2 — CID 152990810

IUPAC(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide
SMILESC/C(=C\C(=O)CC(C)C)CC(C)NC(=O)/C=C/F
InChIInChI=1S/C14H22FNO2/c1-10(2)7-13(17)9-11(3)8-12(4)16-14(18)5-6-15/h5-6,9-10,12H,7-8H2,1-4H3,(H,16,18)/b6-5+,11-9+
InChIKeyUWFRVWSEESROPN-ZMLXFWSASA-N
MW255.33 g/mol
LogP2.93
Rot. Bonds7

About (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide

(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide (PubChem CID 152990810) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide
PubChem CID152990810
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide
SMILESC/C(=C\C(=O)CC(C)C)CC(C)NC(=O)/C=C/F
InChIInChI=1S/C14H22FNO2/c1-10(2)7-13(17)9-11(3)8-12(4)16-14(18)5-6-15/h5-6,9-10,12H,7-8H2,1-4H3,(H,16,18)/b6-5+,11-9+
InChIKeyUWFRVWSEESROPN-ZMLXFWSASA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide?
The IUPAC name of (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide (CID 152990810) is (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide is C/C(=C\C(=O)CC(C)C)CC(C)NC(=O)/C=C/F.
What is the InChIKey of (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide?
The InChIKey is UWFRVWSEESROPN-ZMLXFWSASA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(2)7-13(17)9-11(3)8-12(4)16-14(18)5-6-15/h5-6,9-10,12H,7-8H2,1-4H3,(H,16,18)/b6-5+,11-9+.
What are the key properties of (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide?
(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide has a molecular weight of 255.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide is sourced from PubChem (CID 152990810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).