N-hex-1-ynylpropanamide

C9H15NO — CID 118524998

IUPACN-hex-1-ynylpropanamide
SMILESCCCCC#CNC(=O)CC
InChIInChI=1S/C9H15NO/c1-3-5-6-7-8-10-9(11)4-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyUOULWFOMVHDIHG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.66
Rot. Bonds3

About N-hex-1-ynylpropanamide

N-hex-1-ynylpropanamide (PubChem CID 118524998) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-hex-1-ynylpropanamide.

Molecular Properties

Compound NameN-hex-1-ynylpropanamide
PubChem CID118524998
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-hex-1-ynylpropanamide
SMILESCCCCC#CNC(=O)CC
InChIInChI=1S/C9H15NO/c1-3-5-6-7-8-10-9(11)4-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyUOULWFOMVHDIHG-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

non-4-yn-3-one
CID 10887980
pentadeca-5,10-diyne
CID 15530767
(Z)-3-methyldec-3-en-5-yne
CID 134977329
undec-6-yn-5-one
CID 11240698
N-butylhex-1-yn-1-amine
CID 57233970
carbonic acid;tetradec-7-yne
CID 90353944
2,2-dimethylnon-4-yn-3-one
CID 10773384
methanesulfonic acid;oct-3-yn-1-ol
CID 71327437
N-ethyl-9-methylideneoctadec-10-ynamide
CID 89126172
tetradeca-4,9-diyne
CID 173328648
carbonic acid;non-3-yne
CID 87169900
CID 13112965
CID 13112965

Frequently Asked Questions

What is the IUPAC name of N-hex-1-ynylpropanamide?
The IUPAC name of N-hex-1-ynylpropanamide (CID 118524998) is N-hex-1-ynylpropanamide.
What is the SMILES notation for N-hex-1-ynylpropanamide?
The canonical SMILES for N-hex-1-ynylpropanamide is CCCCC#CNC(=O)CC.
What is the InChIKey of N-hex-1-ynylpropanamide?
The InChIKey is UOULWFOMVHDIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-7-8-10-9(11)4-2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of N-hex-1-ynylpropanamide?
N-hex-1-ynylpropanamide has a molecular weight of 153.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-ynylpropanamide is sourced from PubChem (CID 118524998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).