5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one

C12H17NO3 — CID 142823945

IUPAC5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C=C(\C=C/C)CC1NC(=O)OC1CO
InChIInChI=1S/C12H17NO3/c1-3-5-9(6-4-2)7-10-11(8-14)16-12(15)13-10/h3-6,10-11,14H,1,7-8H2,2H3,(H,13,15)/b6-4-,9-5+
InChIKeyZZSJHHGEDUXYSU-QUNSIMLLSA-N
MW223.27 g/mol
LogP1.53
Rot. Bonds5

About 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one

5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one (PubChem CID 142823945) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
PubChem CID142823945
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C=C(\C=C/C)CC1NC(=O)OC1CO
InChIInChI=1S/C12H17NO3/c1-3-5-9(6-4-2)7-10-11(8-14)16-12(15)13-10/h3-6,10-11,14H,1,7-8H2,2H3,(H,13,15)/b6-4-,9-5+
InChIKeyZZSJHHGEDUXYSU-QUNSIMLLSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one (CID 142823945) is 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one is C=C/C=C(\C=C/C)CC1NC(=O)OC1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is ZZSJHHGEDUXYSU-QUNSIMLLSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-5-9(6-4-2)7-10-11(8-14)16-12(15)13-10/h3-6,10-11,14H,1,7-8H2,2H3,(H,13,15)/b6-4-,9-5+.
What are the key properties of 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142823945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).