N-(6-hydroxyhexa-2,4-diynyl)propanamide

C9H11NO2 — CID 25140231

IUPACN-(6-hydroxyhexa-2,4-diynyl)propanamide
SMILESCCC(=O)NCC#CC#CCO
InChIInChI=1S/C9H11NO2/c1-2-9(12)10-7-5-3-4-6-8-11/h11H,2,7-8H2,1H3,(H,10,12)
InChIKeyGGNCEIWOOCVGNA-UHFFFAOYSA-N
MW165.19 g/mol
LogP-0.49
Rot. Bonds2

About N-(6-hydroxyhexa-2,4-diynyl)propanamide

N-(6-hydroxyhexa-2,4-diynyl)propanamide (PubChem CID 25140231) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(6-hydroxyhexa-2,4-diynyl)propanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexa-2,4-diynyl)propanamide
PubChem CID25140231
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(6-hydroxyhexa-2,4-diynyl)propanamide
SMILESCCC(=O)NCC#CC#CCO
InChIInChI=1S/C9H11NO2/c1-2-9(12)10-7-5-3-4-6-8-11/h11H,2,7-8H2,1H3,(H,10,12)
InChIKeyGGNCEIWOOCVGNA-UHFFFAOYSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-pent-2-ynylpropanamide
CID 169175409
acetylene;N-ethylpropanamide
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N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
N-(hydroxymethyl)propanamide;methylphosphonic acid
CID 175038682
N-(2-oxopropyl)propanamide
CID 23550155
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
CID 158389434
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(2-phosphanylethyl)propanamide
CID 146644677
N-ethylpropanamide tetrafluoroborate
CID 88753462
ethanamine;ethane;N-ethylpropanamide
CID 157433415

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexa-2,4-diynyl)propanamide?
The IUPAC name of N-(6-hydroxyhexa-2,4-diynyl)propanamide (CID 25140231) is N-(6-hydroxyhexa-2,4-diynyl)propanamide.
What is the SMILES notation for N-(6-hydroxyhexa-2,4-diynyl)propanamide?
The canonical SMILES for N-(6-hydroxyhexa-2,4-diynyl)propanamide is CCC(=O)NCC#CC#CCO.
What is the InChIKey of N-(6-hydroxyhexa-2,4-diynyl)propanamide?
The InChIKey is GGNCEIWOOCVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-9(12)10-7-5-3-4-6-8-11/h11H,2,7-8H2,1H3,(H,10,12).
What are the key properties of N-(6-hydroxyhexa-2,4-diynyl)propanamide?
N-(6-hydroxyhexa-2,4-diynyl)propanamide has a molecular weight of 165.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexa-2,4-diynyl)propanamide is sourced from PubChem (CID 25140231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).