N-(4-methylpent-1-yn-3-yl)acetamide

C8H13NO — CID 123211812

IUPACN-(4-methylpent-1-yn-3-yl)acetamide
SMILESC#CC(NC(C)=O)C(C)C
InChIInChI=1S/C8H13NO/c1-5-8(6(2)3)9-7(4)10/h1,6,8H,2-4H3,(H,9,10)
InChIKeyBNMSQFKGKLNMQJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds2

About N-(4-methylpent-1-yn-3-yl)acetamide

N-(4-methylpent-1-yn-3-yl)acetamide (PubChem CID 123211812) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(4-methylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylpent-1-yn-3-yl)acetamide
PubChem CID123211812
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(4-methylpent-1-yn-3-yl)acetamide
SMILESC#CC(NC(C)=O)C(C)C
InChIInChI=1S/C8H13NO/c1-5-8(6(2)3)9-7(4)10/h1,6,8H,2-4H3,(H,9,10)
InChIKeyBNMSQFKGKLNMQJ-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamidopropanoyl iodide
CID 126569176
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
N-(1-aminoprop-2-ynyl)acetamide
CID 140615276
(2S)-2-acetamidopropanoate
CID 6926438
N-(2-methylhex-5-yn-3-yl)acetamide
CID 130015615
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
N-(1-aminoprop-2-ynyl)acetamide;hydrochloride
CID 140615275
(2S)-3,3-dimethyl-2-(4-methylpent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 114202691
N-(4-methylpent-1-yn-3-yl)oxetane-2-carboxamide
CID 130748567
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
methyl (2R)-2-acetamidopropanoate
CID 6951031
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-1-yn-3-yl)acetamide?
The IUPAC name of N-(4-methylpent-1-yn-3-yl)acetamide (CID 123211812) is N-(4-methylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for N-(4-methylpent-1-yn-3-yl)acetamide?
The canonical SMILES for N-(4-methylpent-1-yn-3-yl)acetamide is C#CC(NC(C)=O)C(C)C.
What is the InChIKey of N-(4-methylpent-1-yn-3-yl)acetamide?
The InChIKey is BNMSQFKGKLNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-8(6(2)3)9-7(4)10/h1,6,8H,2-4H3,(H,9,10).
What are the key properties of N-(4-methylpent-1-yn-3-yl)acetamide?
N-(4-methylpent-1-yn-3-yl)acetamide has a molecular weight of 139.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 123211812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).