methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate

C11H21NO3 — CID 121221358

IUPACmethyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate
SMILESC=CCC(CC)N(CCCO)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-7-10(5-2)12(8-6-9-13)11(14)15-3/h4,10,13H,1,5-9H2,2-3H3
InChIKeyIVRYXKYTQNQXGL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate

methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate (PubChem CID 121221358) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate
PubChem CID121221358
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate
SMILESC=CCC(CC)N(CCCO)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-7-10(5-2)12(8-6-9-13)11(14)15-3/h4,10,13H,1,5-9H2,2-3H3
InChIKeyIVRYXKYTQNQXGL-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate?
The IUPAC name of methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate (CID 121221358) is methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate is C=CCC(CC)N(CCCO)C(=O)OC.
What is the InChIKey of methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate?
The InChIKey is IVRYXKYTQNQXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-7-10(5-2)12(8-6-9-13)11(14)15-3/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate?
methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 121221358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).