3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide

C9H14N2O2 — CID 156737070

IUPAC3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide
SMILESCN(C)C1(C#CC(N)=O)CCCO1
InChIInChI=1S/C9H14N2O2/c1-11(2)9(5-3-7-13-9)6-4-8(10)12/h3,5,7H2,1-2H3,(H2,10,12)
InChIKeyUAUHOTXMTLDLKO-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.46
Rot. Bonds1

About 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide

3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide (PubChem CID 156737070) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide
PubChem CID156737070
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide
SMILESCN(C)C1(C#CC(N)=O)CCCO1
InChIInChI=1S/C9H14N2O2/c1-11(2)9(5-3-7-13-9)6-4-8(10)12/h3,5,7H2,1-2H3,(H2,10,12)
InChIKeyUAUHOTXMTLDLKO-UHFFFAOYSA-N
XLogP-0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.46
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

3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide
CID 166145060
2-N,2-N,2-N',2-N'-tetramethyloxolane-2,2-diamine
CID 174918997
3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
CID 166144717
acetamide;cyclopentane
CID 67941075
4-methyl-1-(2-methyloxolan-2-yl)pent-1-yn-3-one
CID 170046394
2-[1-(dimethylamino)cyclohexyl]acetamide
CID 10845205
ethane;2-methyloxane-2-carboxamide
CID 171543445
4-(dimethylamino)oxepane-4-carboxylic acid
CID 65081196
3-[(3S)-3-(dimethylamino)oxolan-3-yl]-1-pyrrolidin-1-ylprop-2-yn-1-one
CID 166143998
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
CID 142807025
1-[1-(dimethylamino)cyclohexyl]propan-2-one
CID 58143295
1-[(2R)-2-ethyloxolan-2-yl]ethanone
CID 167251842

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide?
The IUPAC name of 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide (CID 156737070) is 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide.
What is the SMILES notation for 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide?
The canonical SMILES for 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide is CN(C)C1(C#CC(N)=O)CCCO1.
What is the InChIKey of 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide?
The InChIKey is UAUHOTXMTLDLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(2)9(5-3-7-13-9)6-4-8(10)12/h3,5,7H2,1-2H3,(H2,10,12).
What are the key properties of 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide?
3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide has a molecular weight of 182.22 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide is sourced from PubChem (CID 156737070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).