(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide

C15H21NO2 — CID 143083477

IUPAC(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide
SMILESC=C[C@@H](C)N(C(C)=O)C(=O)/C=C/C=C\C=C/CC
InChIInChI=1S/C15H21NO2/c1-5-7-8-9-10-11-12-15(18)16(14(4)17)13(3)6-2/h6-13H,2,5H2,1,3-4H3/b8-7-,10-9-,12-11+/t13-/m1/s1
InChIKeyFYKGYZJJTORLNO-BYJYOYMOSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds6

About (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide

(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide (PubChem CID 143083477) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide
PubChem CID143083477
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide
SMILESC=C[C@@H](C)N(C(C)=O)C(=O)/C=C/C=C\C=C/CC
InChIInChI=1S/C15H21NO2/c1-5-7-8-9-10-11-12-15(18)16(14(4)17)13(3)6-2/h6-13H,2,5H2,1,3-4H3/b8-7-,10-9-,12-11+/t13-/m1/s1
InChIKeyFYKGYZJJTORLNO-BYJYOYMOSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide?
The IUPAC name of (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide (CID 143083477) is (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide.
What is the SMILES notation for (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide?
The canonical SMILES for (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide is C=C[C@@H](C)N(C(C)=O)C(=O)/C=C/C=C\C=C/CC.
What is the InChIKey of (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide?
The InChIKey is FYKGYZJJTORLNO-BYJYOYMOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-7-8-9-10-11-12-15(18)16(14(4)17)13(3)6-2/h6-13H,2,5H2,1,3-4H3/b8-7-,10-9-,12-11+/t13-/m1/s1.
What are the key properties of (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide?
(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide has a molecular weight of 247.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide is sourced from PubChem (CID 143083477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).