2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide

C9H13NO3 — CID 130626703

IUPAC2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1OCCCO1
InChIInChI=1S/C9H13NO3/c1-2-4-10-8(11)7-9-12-5-3-6-13-9/h1,9H,3-7H2,(H,10,11)
InChIKeyTYPWHFHIKGAWOM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide

2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide (PubChem CID 130626703) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide
PubChem CID130626703
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1OCCCO1
InChIInChI=1S/C9H13NO3/c1-2-4-10-8(11)7-9-12-5-3-6-13-9/h1,9H,3-7H2,(H,10,11)
InChIKeyTYPWHFHIKGAWOM-UHFFFAOYSA-N
XLogP-0.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, 3,3-diethoxy-N-ethyl-
CID 122164552
N-propyl-1,3-dioxane-5-carboxamide
CID 53694568
N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
CID 141007804
2-methyl-N-propyl-1,3-dioxane-5-carboxamide
CID 141007817
N-[2-(1,3-dioxan-2-yl)ethyl]propanamide
CID 110370043
N-[2-(1,3-dioxan-2-yl)ethyl]acetamide
CID 110398473
N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide
CID 130626862
N-(cyanomethyl)-2-(1,3-dioxan-2-yl)acetamide
CID 130652686
2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide
CID 130961676

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide (CID 130626703) is 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CC1OCCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide?
The InChIKey is TYPWHFHIKGAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-4-10-8(11)7-9-12-5-3-6-13-9/h1,9H,3-7H2,(H,10,11).
What are the key properties of 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide?
2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide has a molecular weight of 183.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 130626703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).