2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate

C11H19NO3 — CID 79345819

IUPAC2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCCO)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-2-7-12(10-5-3-4-6-10)11(14)15-9-8-13/h2,10,13H,1,3-9H2
InChIKeyZSNYOBIUBNDYCN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds5

About 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate

2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate (PubChem CID 79345819) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
PubChem CID79345819
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCCO)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-2-7-12(10-5-3-4-6-10)11(14)15-9-8-13/h2,10,13H,1,3-9H2
InChIKeyZSNYOBIUBNDYCN-UHFFFAOYSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
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 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate?
The IUPAC name of 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate (CID 79345819) is 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate is C=CCN(C(=O)OCCO)C1CCCC1.
What is the InChIKey of 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate?
The InChIKey is ZSNYOBIUBNDYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-7-12(10-5-3-4-6-10)11(14)15-9-8-13/h2,10,13H,1,3-9H2.
What are the key properties of 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate?
2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 79345819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).