N-but-3-enylundec-10-enamide

C15H27NO — CID 15399528

IUPACN-but-3-enylundec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCC=C
InChIInChI=1S/C15H27NO/c1-3-5-7-8-9-10-11-12-13-15(17)16-14-6-4-2/h3-4H,1-2,5-14H2,(H,16,17)
InChIKeyRORBIMJKPYMEHD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.99
Rot. Bonds12

About N-but-3-enylundec-10-enamide

N-but-3-enylundec-10-enamide (PubChem CID 15399528) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-but-3-enylundec-10-enamide.

Molecular Properties

Compound NameN-but-3-enylundec-10-enamide
PubChem CID15399528
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-but-3-enylundec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCC=C
InChIInChI=1S/C15H27NO/c1-3-5-7-8-9-10-11-12-13-15(17)16-14-6-4-2/h3-4H,1-2,5-14H2,(H,16,17)
InChIKeyRORBIMJKPYMEHD-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylundec-10-enamide?
The IUPAC name of N-but-3-enylundec-10-enamide (CID 15399528) is N-but-3-enylundec-10-enamide.
What is the SMILES notation for N-but-3-enylundec-10-enamide?
The canonical SMILES for N-but-3-enylundec-10-enamide is C=CCCCCCCCCC(=O)NCCC=C.
What is the InChIKey of N-but-3-enylundec-10-enamide?
The InChIKey is RORBIMJKPYMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-7-8-9-10-11-12-13-15(17)16-14-6-4-2/h3-4H,1-2,5-14H2,(H,16,17).
What are the key properties of N-but-3-enylundec-10-enamide?
N-but-3-enylundec-10-enamide has a molecular weight of 237.39 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylundec-10-enamide is sourced from PubChem (CID 15399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).