but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one

C14H29NO2 — CID 159211254

IUPACbut-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one
SMILESCC.CC.CC#CC.CCC1CN(C)C(=O)O1
InChIInChI=1S/C6H11NO2.C4H6.2C2H6/c1-3-5-4-7(2)6(8)9-5;1-3-4-2;2*1-2/h5H,3-4H2,1-2H3;1-2H3;2*1-2H3
InChIKeyKQNDBPORUCUIKS-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.93
Rot. Bonds1

About but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one

but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one (PubChem CID 159211254) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namebut-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one
PubChem CID159211254
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namebut-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one
SMILESCC.CC.CC#CC.CCC1CN(C)C(=O)O1
InChIInChI=1S/C6H11NO2.C4H6.2C2H6/c1-3-5-4-7(2)6(8)9-5;1-3-4-2;2*1-2/h5H,3-4H2,1-2H3;1-2H3;2*1-2H3
InChIKeyKQNDBPORUCUIKS-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)carbamate
CID 15065512
3-Methyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
CID 294722
(5S)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 58653718
(5R)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 72545094
trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
5-(But-2-ynoxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 294723
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
3-Butyl-5-methyl-1,3-oxazolidin-2-one
CID 13432449
5-Methyl-3-propyl-1,3-oxazolidin-2-one
CID 13547987
3-Hex-1-ynyl-1,3-oxazolidin-2-one
CID 25068298

Frequently Asked Questions

What is the IUPAC name of but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one (CID 159211254) is but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one is CC.CC.CC#CC.CCC1CN(C)C(=O)O1.
What is the InChIKey of but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is KQNDBPORUCUIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H6.2C2H6/c1-3-5-4-7(2)6(8)9-5;1-3-4-2;2*1-2/h5H,3-4H2,1-2H3;1-2H3;2*1-2H3.
What are the key properties of but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one?
but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 243.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;ethane;5-ethyl-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159211254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).