propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate

C15H23NO3 — CID 90947602

IUPACpropan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate
SMILESC=CC=C(C=CC)CC(NC(=O)OC(C)C)C1CO1
InChIInChI=1S/C15H23NO3/c1-5-7-12(8-6-2)9-13(14-10-18-14)16-15(17)19-11(3)4/h5-8,11,13-14H,1,9-10H2,2-4H3,(H,16,17)
InChIKeyVIUZDACZVOTDLZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.97
Rot. Bonds7

About propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate

propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate (PubChem CID 90947602) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate
PubChem CID90947602
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namepropan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate
SMILESC=CC=C(C=CC)CC(NC(=O)OC(C)C)C1CO1
InChIInChI=1S/C15H23NO3/c1-5-7-12(8-6-2)9-13(14-10-18-14)16-15(17)19-11(3)4/h5-8,11,13-14H,1,9-10H2,2-4H3,(H,16,17)
InChIKeyVIUZDACZVOTDLZ-UHFFFAOYSA-N
XLogP2.97
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate
CID 90830205
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
tert-butyl N-[(4Z)-3-methylidene-1-(oxiran-2-yl)hepta-4,6-dienyl]carbamate
CID 142241818
ethane;5-(hydroxymethyl)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
CID 142823944
(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
CID 143195542
tert-butyl N-[(1S)-2-cyclohexa-1,5-dien-1-yl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143466703
(4R)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
CID 145567889
4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
CID 145681271
5-methyl-4-[(Z)-2-methylbut-2-enyl]-1,3-oxazolidin-2-one
CID 173716893
tert-butyl N-[(1S)-3-methyl-1-[(2R)-oxiran-2-yl]but-2-enyl]carbamate
CID 11831161

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate (CID 90947602) is propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate is C=CC=C(C=CC)CC(NC(=O)OC(C)C)C1CO1.
What is the InChIKey of propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate?
The InChIKey is VIUZDACZVOTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-12(8-6-2)9-13(14-10-18-14)16-15(17)19-11(3)4/h5-8,11,13-14H,1,9-10H2,2-4H3,(H,16,17).
What are the key properties of propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate?
propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(oxiran-2-yl)-3-prop-1-enylhexa-3,5-dienyl]carbamate is sourced from PubChem (CID 90947602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).