5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide

C15H27NO2 — CID 11322754

IUPAC5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide
SMILESC=CCCC(CCCC(=O)N(C)C)C(C)(O)C=C
InChIInChI=1S/C15H27NO2/c1-6-8-10-13(15(3,18)7-2)11-9-12-14(17)16(4)5/h6-7,13,18H,1-2,8-12H2,3-5H3
InChIKeyKYTHGXKZCHAMRJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds9

About 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide

5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide (PubChem CID 11322754) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide.

Molecular Properties

Compound Name5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide
PubChem CID11322754
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide
SMILESC=CCCC(CCCC(=O)N(C)C)C(C)(O)C=C
InChIInChI=1S/C15H27NO2/c1-6-8-10-13(15(3,18)7-2)11-9-12-14(17)16(4)5/h6-7,13,18H,1-2,8-12H2,3-5H3
InChIKeyKYTHGXKZCHAMRJ-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-di-methyl-3-hydroxy-2-hexyl-4-pentenamide
CID 14815151
(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide
CID 121268258

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide?
The IUPAC name of 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide (CID 11322754) is 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide.
What is the SMILES notation for 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide?
The canonical SMILES for 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide is C=CCCC(CCCC(=O)N(C)C)C(C)(O)C=C.
What is the InChIKey of 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide?
The InChIKey is KYTHGXKZCHAMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-8-10-13(15(3,18)7-2)11-9-12-14(17)16(4)5/h6-7,13,18H,1-2,8-12H2,3-5H3.
What are the key properties of 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide?
5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide has a molecular weight of 253.39 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxybut-3-en-2-yl)-N,N-dimethylnon-8-enamide is sourced from PubChem (CID 11322754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).