(4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

C14H21NO2 — CID 45276584

IUPAC(4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C=C(CC=C(C)C)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C14H21NO2/c1-6-12(8-7-10(2)3)15-13(11(4)5)9-17-14(15)16/h7,11,13H,1,8-9H2,2-5H3/t13-/m0/s1
InChIKeyYDQKRBBVBWTSDA-ZDUSSCGKSA-N
MW235.33 g/mol
LogP3.49
Rot. Bonds4

About (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 45276584) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID45276584
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C=C(CC=C(C)C)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C14H21NO2/c1-6-12(8-7-10(2)3)15-13(11(4)5)9-17-14(15)16/h7,11,13H,1,8-9H2,2-5H3/t13-/m0/s1
InChIKeyYDQKRBBVBWTSDA-ZDUSSCGKSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 45276584) is (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is C=C=C(CC=C(C)C)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YDQKRBBVBWTSDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-12(8-7-10(2)3)15-13(11(4)5)9-17-14(15)16/h7,11,13H,1,8-9H2,2-5H3/t13-/m0/s1.
What are the key properties of (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(6-methylhepta-1,2,5-trien-3-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45276584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).