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

C14H23NO3 — CID 142823944

IUPACethane;5-(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.CC
InChIInChI=1S/C12H17NO3.C2H6/c1-3-5-9(6-4-2)7-10-11(8-14)16-12(15)13-10;1-2/h3-6,10-11,14H,1,7-8H2,2H3,(H,13,15);1-2H3/b6-4-,9-5+;
InChIKeyVORQYEAMBANNQJ-AFPQSWDMSA-N
MW253.34 g/mol
LogP2.56
Rot. Bonds5

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

ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one (PubChem CID 142823944) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
PubChem CID142823944
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethane;5-(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.CC
InChIInChI=1S/C12H17NO3.C2H6/c1-3-5-9(6-4-2)7-10-11(8-14)16-12(15)13-10;1-2/h3-6,10-11,14H,1,7-8H2,2H3,(H,13,15);1-2H3/b6-4-,9-5+;
InChIKeyVORQYEAMBANNQJ-AFPQSWDMSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-hydroxy-2-prop-2-enyloxolan-3-yl)carbamate
CID 69593339
tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate
CID 90830205
propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate
CID 90947602
tert-butyl N-(1-hydroxy-5-methylocta-5,7-dien-3-yl)carbamate
CID 123143807
oxolan-3-yl N-[(3Z)-3-ethenyl-1-[(2S)-oxiran-2-yl]hexa-3,5-dienyl]carbamate
CID 141885464
4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one
CID 142132034
(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one
CID 102597228
5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
CID 142823945
(4R,5S)-4-cyclopenta-1,3-dien-1-yl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 156023959
methyl N-[(2S,3S)-1-cyclohepta-1,3,6-trien-1-yl-3-hydroxybutan-2-yl]carbamate
CID 176935500

Frequently Asked Questions

What is the IUPAC name of ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one (CID 142823944) is ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is VORQYEAMBANNQJ-AFPQSWDMSA-N. The full InChI is InChI=1S/C12H17NO3.C2H6/c1-3-5-9(6-4-2)7-10-11(8-14)16-12(15)13-10;1-2/h3-6,10-11,14H,1,7-8H2,2H3,(H,13,15);1-2H3/b6-4-,9-5+;.
What are the key properties of ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142823944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).