2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide

C12H19NO2 — CID 103579125

IUPAC2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)CC1CCCCO1
InChIInChI=1S/C12H19NO2/c1-3-10(4-2)13-12(14)9-11-7-5-6-8-15-11/h1,10-11H,4-9H2,2H3,(H,13,14)
InChIKeyWICIWRZLAOMSIQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds4

About 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide

2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide (PubChem CID 103579125) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
PubChem CID103579125
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)CC1CCCCO1
InChIInChI=1S/C12H19NO2/c1-3-10(4-2)13-12(14)9-11-7-5-6-8-15-11/h1,10-11H,4-9H2,2H3,(H,13,14)
InChIKeyWICIWRZLAOMSIQ-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine
CID 106229517
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
2-[4-(pent-1-yn-3-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 106232126
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
CID 99640333
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide?
The IUPAC name of 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide (CID 103579125) is 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide is C#CC(CC)NC(=O)CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide?
The InChIKey is WICIWRZLAOMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-10(4-2)13-12(14)9-11-7-5-6-8-15-11/h1,10-11H,4-9H2,2H3,(H,13,14).
What are the key properties of 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide?
2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide is sourced from PubChem (CID 103579125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).