2-pyrrolidin-3-ylethyl N-butylcarbamate

C11H22N2O2 — CID 114796626

IUPAC2-pyrrolidin-3-ylethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCC1CCNC1
InChIInChI=1S/C11H22N2O2/c1-2-3-6-13-11(14)15-8-5-10-4-7-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyWYCDAUCJTKOTPR-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds6

About 2-pyrrolidin-3-ylethyl N-butylcarbamate

2-pyrrolidin-3-ylethyl N-butylcarbamate (PubChem CID 114796626) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylethyl N-butylcarbamate.

Molecular Properties

Compound Name2-pyrrolidin-3-ylethyl N-butylcarbamate
PubChem CID114796626
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-pyrrolidin-3-ylethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCC1CCNC1
InChIInChI=1S/C11H22N2O2/c1-2-3-6-13-11(14)15-8-5-10-4-7-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyWYCDAUCJTKOTPR-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylethyl N-butylcarbamate?
The IUPAC name of 2-pyrrolidin-3-ylethyl N-butylcarbamate (CID 114796626) is 2-pyrrolidin-3-ylethyl N-butylcarbamate.
What is the SMILES notation for 2-pyrrolidin-3-ylethyl N-butylcarbamate?
The canonical SMILES for 2-pyrrolidin-3-ylethyl N-butylcarbamate is CCCCNC(=O)OCCC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylethyl N-butylcarbamate?
The InChIKey is WYCDAUCJTKOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-6-13-11(14)15-8-5-10-4-7-12-9-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-pyrrolidin-3-ylethyl N-butylcarbamate?
2-pyrrolidin-3-ylethyl N-butylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylethyl N-butylcarbamate is sourced from PubChem (CID 114796626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).