(2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide

C15H23FN2O — CID 143746541

IUPAC(2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C(/C)N)C(=O)NC1CCCCC1C
InChIInChI=1S/C15H23FN2O/c1-10-6-4-5-7-14(10)18-15(19)13(8-11(2)16)9-12(3)17/h8-10,14H,2,4-7,17H2,1,3H3,(H,18,19)/b12-9+,13-8+
InChIKeyBSVZSNKWRFIOPJ-GHEQENTPSA-N
MW266.36 g/mol
LogP2.95
Rot. Bonds4

About (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide

(2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide (PubChem CID 143746541) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide
PubChem CID143746541
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C(/C)N)C(=O)NC1CCCCC1C
InChIInChI=1S/C15H23FN2O/c1-10-6-4-5-7-14(10)18-15(19)13(8-11(2)16)9-12(3)17/h8-10,14H,2,4-7,17H2,1,3H3,(H,18,19)/b12-9+,13-8+
InChIKeyBSVZSNKWRFIOPJ-GHEQENTPSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide?
The IUPAC name of (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide (CID 143746541) is (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide is C=C(F)/C=C(\C=C(/C)N)C(=O)NC1CCCCC1C.
What is the InChIKey of (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide?
The InChIKey is BSVZSNKWRFIOPJ-GHEQENTPSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-6-4-5-7-14(10)18-15(19)13(8-11(2)16)9-12(3)17/h8-10,14H,2,4-7,17H2,1,3H3,(H,18,19)/b12-9+,13-8+.
What are the key properties of (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide?
(2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide has a molecular weight of 266.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-2-aminoprop-1-enyl]-4-fluoro-N-(2-methylcyclohexyl)penta-2,4-dienamide is sourced from PubChem (CID 143746541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).