4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one

C12H17NO2 — CID 142132034

IUPAC4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C(=C\C=C/C)CCC1COC(=O)N1
InChIInChI=1S/C12H17NO2/c1-3-5-6-10(4-2)7-8-11-9-15-12(14)13-11/h3-6,11H,2,7-9H2,1H3,(H,13,14)/b5-3-,10-6+
InChIKeyXKHLLFKFBSJKQE-UTMABKKZSA-N
MW207.27 g/mol
LogP2.56
Rot. Bonds5

About 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one

4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one (PubChem CID 142132034) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one
PubChem CID142132034
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C(=C\C=C/C)CCC1COC(=O)N1
InChIInChI=1S/C12H17NO2/c1-3-5-6-10(4-2)7-8-11-9-15-12(14)13-11/h3-6,11H,2,7-9H2,1H3,(H,13,14)/b5-3-,10-6+
InChIKeyXKHLLFKFBSJKQE-UTMABKKZSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
4-(2-Cyclohexa-2,4-dien-1-ylethyl)-1,3-oxazolidin-2-one
CID 68387414
(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one
CID 71465829
4-Cycloocta-2,4-dien-1-yl-5-methyl-1,3-oxazolidin-2-one
CID 78076799
lithium (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
CID 88415529
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 89326941
4-(2-Methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 90830770
propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate
CID 90947602
4-Hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
CID 123363079
4-(Cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one
CID 123701505
4-Cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 123952437

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one (CID 142132034) is 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one is C=C/C(=C\C=C/C)CCC1COC(=O)N1.
What is the InChIKey of 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is XKHLLFKFBSJKQE-UTMABKKZSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-5-6-10(4-2)7-8-11-9-15-12(14)13-11/h3-6,11H,2,7-9H2,1H3,(H,13,14)/b5-3-,10-6+.
What are the key properties of 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one?
4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142132034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).