(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine

C8H13NO — CID 89313544

IUPAC(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine
SMILESC=C(C)C[C@H]1COC(=C)N1
InChIInChI=1S/C8H13NO/c1-6(2)4-8-5-10-7(3)9-8/h8-9H,1,3-5H2,2H3/t8-/m0/s1
InChIKeyYDYNTVNSVPTRFW-QMMMGPOBSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds2

About (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine

(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine (PubChem CID 89313544) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine
PubChem CID89313544
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine
SMILESC=C(C)C[C@H]1COC(=C)N1
InChIInChI=1S/C8H13NO/c1-6(2)4-8-5-10-7(3)9-8/h8-9H,1,3-5H2,2H3/t8-/m0/s1
InChIKeyYDYNTVNSVPTRFW-QMMMGPOBSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
The IUPAC name of (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine (CID 89313544) is (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine.
What is the SMILES notation for (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
The canonical SMILES for (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine is C=C(C)C[C@H]1COC(=C)N1.
What is the InChIKey of (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
The InChIKey is YDYNTVNSVPTRFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)4-8-5-10-7(3)9-8/h8-9H,1,3-5H2,2H3/t8-/m0/s1.
What are the key properties of (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine is sourced from PubChem (CID 89313544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).