N-but-3-enyl-N-methylbut-2-ynamide

C9H13NO — CID 131208722

IUPACN-but-3-enyl-N-methylbut-2-ynamide
SMILESC=CCCN(C)C(=O)C#CC
InChIInChI=1S/C9H13NO/c1-4-6-8-10(3)9(11)7-5-2/h4H,1,6,8H2,2-3H3
InChIKeyJZCLQGSCBUNPCN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.04
Rot. Bonds3

About N-but-3-enyl-N-methylbut-2-ynamide

N-but-3-enyl-N-methylbut-2-ynamide (PubChem CID 131208722) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-but-3-enyl-N-methylbut-2-ynamide.

Molecular Properties

Compound NameN-but-3-enyl-N-methylbut-2-ynamide
PubChem CID131208722
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-but-3-enyl-N-methylbut-2-ynamide
SMILESC=CCCN(C)C(=O)C#CC
InChIInChI=1S/C9H13NO/c1-4-6-8-10(3)9(11)7-5-2/h4H,1,6,8H2,2-3H3
InChIKeyJZCLQGSCBUNPCN-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-oxopropyl)but-2-ynamide
CID 143826585
N-(2-methoxyethyl)-N-methylbut-2-ynamide
CID 131224472
N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide
CID 107989651
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
2-[2-[but-2-ynoyl(methyl)amino]ethyl]benzoic acid
CID 107986971
N-methyl-N-pent-4-enylpropanamide
CID 115640317
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
N-but-3-enyl-N-methyl-3-oxocyclohexene-1-carboxamide
CID 11031026
N-but-3-enyl-N,4,4-trimethyl-2-oxocyclopentane-1-carboxamide
CID 10513285
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N,N-dimethylpent-4-enamide
CID 13308678

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-methylbut-2-ynamide?
The IUPAC name of N-but-3-enyl-N-methylbut-2-ynamide (CID 131208722) is N-but-3-enyl-N-methylbut-2-ynamide.
What is the SMILES notation for N-but-3-enyl-N-methylbut-2-ynamide?
The canonical SMILES for N-but-3-enyl-N-methylbut-2-ynamide is C=CCCN(C)C(=O)C#CC.
What is the InChIKey of N-but-3-enyl-N-methylbut-2-ynamide?
The InChIKey is JZCLQGSCBUNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-8-10(3)9(11)7-5-2/h4H,1,6,8H2,2-3H3.
What are the key properties of N-but-3-enyl-N-methylbut-2-ynamide?
N-but-3-enyl-N-methylbut-2-ynamide has a molecular weight of 151.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-methylbut-2-ynamide is sourced from PubChem (CID 131208722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).