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

C8H11NO3 — CID 130961676

IUPAC2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1OCCO1
InChIInChI=1S/C8H11NO3/c1-2-3-9-7(10)6-8-11-4-5-12-8/h1,8H,3-6H2,(H,9,10)
InChIKeyZHQWIUIOUHUVDD-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.50
Rot. Bonds3

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

2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide (PubChem CID 130961676) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide
PubChem CID130961676
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1OCCO1
InChIInChI=1S/C8H11NO3/c1-2-3-9-7(10)6-8-11-4-5-12-8/h1,8H,3-6H2,(H,9,10)
InChIKeyZHQWIUIOUHUVDD-UHFFFAOYSA-N
XLogP-0.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide (CID 130961676) is 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide?
The InChIKey is ZHQWIUIOUHUVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-3-9-7(10)6-8-11-4-5-12-8/h1,8H,3-6H2,(H,9,10).
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide?
2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide has a molecular weight of 169.18 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 130961676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).