N-(2-hydroxypropyl)nona-2,6-dienamide

C12H21NO2 — CID 76694616

IUPACN-(2-hydroxypropyl)nona-2,6-dienamide
SMILESCCC=CCCC=CC(=O)NCC(C)O
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-7-8-9-12(15)13-10-11(2)14/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,13,15)
InChIKeyDGRJKPLVQOBFQX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.79
Rot. Bonds7

About N-(2-hydroxypropyl)nona-2,6-dienamide

N-(2-hydroxypropyl)nona-2,6-dienamide (PubChem CID 76694616) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)nona-2,6-dienamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)nona-2,6-dienamide
PubChem CID76694616
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-(2-hydroxypropyl)nona-2,6-dienamide
SMILESCCC=CCCC=CC(=O)NCC(C)O
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-7-8-9-12(15)13-10-11(2)14/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,13,15)
InChIKeyDGRJKPLVQOBFQX-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)nona-2,6-dienamide?
The IUPAC name of N-(2-hydroxypropyl)nona-2,6-dienamide (CID 76694616) is N-(2-hydroxypropyl)nona-2,6-dienamide.
What is the SMILES notation for N-(2-hydroxypropyl)nona-2,6-dienamide?
The canonical SMILES for N-(2-hydroxypropyl)nona-2,6-dienamide is CCC=CCCC=CC(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)nona-2,6-dienamide?
The InChIKey is DGRJKPLVQOBFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-6-7-8-9-12(15)13-10-11(2)14/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,13,15).
What are the key properties of N-(2-hydroxypropyl)nona-2,6-dienamide?
N-(2-hydroxypropyl)nona-2,6-dienamide has a molecular weight of 211.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)nona-2,6-dienamide is sourced from PubChem (CID 76694616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).