(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen

C9H13NO2 — CID 164604661

IUPAC(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen
SMILESC=C/C=C\C(=C)[C@@H]1COC(=O)N1.[H][H]
InChIInChI=1S/C9H11NO2.H2/c1-3-4-5-7(2)8-6-12-9(11)10-8;/h3-5,8H,1-2,6H2,(H,10,11);1H/b5-4-;/t8-;/m0./s1
InChIKeyNRMGYRYXXOADHW-GWYRIBDWSA-N
MW167.21 g/mol
LogP1.64
Rot. Bonds3

About (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen

(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen (PubChem CID 164604661) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen
PubChem CID164604661
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen
SMILESC=C/C=C\C(=C)[C@@H]1COC(=O)N1.[H][H]
InChIInChI=1S/C9H11NO2.H2/c1-3-4-5-7(2)8-6-12-9(11)10-8;/h3-5,8H,1-2,6H2,(H,10,11);1H/b5-4-;/t8-;/m0./s1
InChIKeyNRMGYRYXXOADHW-GWYRIBDWSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
The IUPAC name of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen (CID 164604661) is (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen.
What is the SMILES notation for (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
The canonical SMILES for (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen is C=C/C=C\C(=C)[C@@H]1COC(=O)N1.[H][H].
What is the InChIKey of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
The InChIKey is NRMGYRYXXOADHW-GWYRIBDWSA-N. The full InChI is InChI=1S/C9H11NO2.H2/c1-3-4-5-7(2)8-6-12-9(11)10-8;/h3-5,8H,1-2,6H2,(H,10,11);1H/b5-4-;/t8-;/m0./s1.
What are the key properties of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen has a molecular weight of 167.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one;molecular hydrogen is sourced from PubChem (CID 164604661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).