N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide

C14H20FNO — CID 123659516

IUPACN-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide
SMILESC=C(C=CC(C)CC=CC)C(=O)NC1CC1F
InChIInChI=1S/C14H20FNO/c1-4-5-6-10(2)7-8-11(3)14(17)16-13-9-12(13)15/h4-5,7-8,10,12-13H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyMVQBKGSNMMCUFQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.93
Rot. Bonds6

About N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide

N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide (PubChem CID 123659516) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide.

Molecular Properties

Compound NameN-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide
PubChem CID123659516
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide
SMILESC=C(C=CC(C)CC=CC)C(=O)NC1CC1F
InChIInChI=1S/C14H20FNO/c1-4-5-6-10(2)7-8-11(3)14(17)16-13-9-12(13)15/h4-5,7-8,10,12-13H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyMVQBKGSNMMCUFQ-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide?
The IUPAC name of N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide (CID 123659516) is N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide.
What is the SMILES notation for N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide?
The canonical SMILES for N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide is C=C(C=CC(C)CC=CC)C(=O)NC1CC1F.
What is the InChIKey of N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide?
The InChIKey is MVQBKGSNMMCUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-5-6-10(2)7-8-11(3)14(17)16-13-9-12(13)15/h4-5,7-8,10,12-13H,3,6,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide?
N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide has a molecular weight of 237.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide is sourced from PubChem (CID 123659516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).