4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

C7H11NO2 — CID 13395611

IUPAC4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C1OC(=O)NC1C
InChIInChI=1S/C7H11NO2/c1-3-4-6-5(2)8-7(9)10-6/h3-6H,1-2H3,(H,8,9)/b4-3+
InChIKeyCZSGRATYTPYMPP-ONEGZZNKSA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds1

About 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 13395611) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID13395611
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C1OC(=O)NC1C
InChIInChI=1S/C7H11NO2/c1-3-4-6-5(2)8-7(9)10-6/h3-6H,1-2H3,(H,8,9)/b4-3+
InChIKeyCZSGRATYTPYMPP-ONEGZZNKSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
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

(3aS,7aR)-3a,4,5,7a-tetrahydro-3H-1,3-benzoxazol-2-one
CID 10920588
5-Ethenyl-1,3-oxazolidin-2-one
CID 55286544
(4R,5R)-4-(fluoromethyl)-5-[(E)-pentadec-1-enyl]-1,3-oxazolidin-2-one
CID 58743259
(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one
CID 69379548
(4R,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one
CID 91306931
(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 10129952
(4R,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11116158
3a,7a-dihydro-3H-1,3-benzoxazol-2-one
CID 23016507
(3aS,6aR)-3,3a,4,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 11126259
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632306
(4R)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one
CID 16216630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (CID 13395611) is 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is C/C=C/C1OC(=O)NC1C.
What is the InChIKey of 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is CZSGRATYTPYMPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-6-5(2)8-7(9)10-6/h3-6H,1-2H3,(H,8,9)/b4-3+.
What are the key properties of 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 13395611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).