ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one

C9H17NO2 — CID 142805365

IUPACethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=C(C)CC1COC(=O)N1.CC
InChIInChI=1S/C7H11NO2.C2H6/c1-5(2)3-6-4-10-7(9)8-6;1-2/h6H,1,3-4H2,2H3,(H,8,9);1-2H3
InChIKeyFJBSMLYKUAXSQE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds2

About ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one

ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 142805365) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID142805365
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=C(C)CC1COC(=O)N1.CC
InChIInChI=1S/C7H11NO2.C2H6/c1-5(2)3-6-4-10-7(9)8-6;1-2/h6H,1,3-4H2,2H3,(H,8,9);1-2H3
InChIKeyFJBSMLYKUAXSQE-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4R)-4-(2-methylbuta-2,3-dienyl)-1,3-oxazolidin-2-one
CID 15420012
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
(4R)-4-but-3-enyl-1,3-oxazolidin-2-one
CID 640426
4-But-3-enyl-1,3-oxazolidin-2-one
CID 21673738
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 57463978
4-(2-Methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 69527292
(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one
CID 89043950
(4R)-4-prop-1-en-2-yl-1,3-oxazolidin-2-one
CID 89476713
4-(2-Methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 90830770
5-Propan-2-yl-4-prop-1-en-2-yl-1,3-oxazolidin-2-one
CID 129136998
(4R)-4-(3,3-dimethylbut-1-en-2-yl)-1,3-oxazolidin-2-one
CID 130397247

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one (CID 142805365) is ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one is C=C(C)CC1COC(=O)N1.CC.
What is the InChIKey of ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is FJBSMLYKUAXSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-5(2)3-6-4-10-7(9)8-6;1-2/h6H,1,3-4H2,2H3,(H,8,9);1-2H3.
What are the key properties of ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142805365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).