(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one

C9H15NO2 — CID 101175355

IUPAC(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)=C[C@@H](C)[C@H]1COC(=O)N1
InChIInChI=1S/C9H15NO2/c1-6(2)4-7(3)8-5-12-9(11)10-8/h4,7-8H,5H2,1-3H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyNGRMMKHDOAPTDO-HTQZYQBOSA-N
MW169.22 g/mol
LogP1.70
Rot. Bonds2

About (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one

(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 101175355) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID101175355
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)=C[C@@H](C)[C@H]1COC(=O)N1
InChIInChI=1S/C9H15NO2/c1-6(2)4-7(3)8-5-12-9(11)10-8/h4,7-8H,5H2,1-3H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyNGRMMKHDOAPTDO-HTQZYQBOSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.70
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)-4-(2-Methyl-1-propen-1-yl)-2-oxazolidinone
CID 12167157
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
4-(2-Methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 85435878
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 89326941
4-(2-Methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 90830770
(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate
CID 118360950
4-Hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
CID 123363079
4-(3-Methylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123594387
4-Cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one
CID 123859347
4-Cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 123952437
4-But-2-enyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 131991450

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one (CID 101175355) is (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one is CC(C)=C[C@@H](C)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is NGRMMKHDOAPTDO-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)4-7(3)8-5-12-9(11)10-8/h4,7-8H,5H2,1-3H3,(H,10,11)/t7-,8-/m1/s1.
What are the key properties of (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101175355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).