N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide

C9H13NO3 — CID 130626862

IUPACN-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide
SMILESC#CCCNC(=O)CC1OCCO1
InChIInChI=1S/C9H13NO3/c1-2-3-4-10-8(11)7-9-12-5-6-13-9/h1,9H,3-7H2,(H,10,11)
InChIKeyFRBJTYXEIPEHIV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.11
Rot. Bonds4

About N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide

N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide (PubChem CID 130626862) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide
PubChem CID130626862
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide
SMILESC#CCCNC(=O)CC1OCCO1
InChIInChI=1S/C9H13NO3/c1-2-3-4-10-8(11)7-9-12-5-6-13-9/h1,9H,3-7H2,(H,10,11)
InChIKeyFRBJTYXEIPEHIV-UHFFFAOYSA-N
XLogP-0.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide?
The IUPAC name of N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide (CID 130626862) is N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide.
What is the SMILES notation for N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide?
The canonical SMILES for N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide is C#CCCNC(=O)CC1OCCO1.
What is the InChIKey of N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide?
The InChIKey is FRBJTYXEIPEHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-4-10-8(11)7-9-12-5-6-13-9/h1,9H,3-7H2,(H,10,11).
What are the key properties of N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide?
N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-(1,3-dioxolan-2-yl)acetamide is sourced from PubChem (CID 130626862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).