pyrrolidin-2-yl N-tert-butylcarbamate

C9H18N2O2 — CID 91218699

IUPACpyrrolidin-2-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCCN1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyWUJGZUONCMPOEI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.22
Rot. Bonds1

About pyrrolidin-2-yl N-tert-butylcarbamate

pyrrolidin-2-yl N-tert-butylcarbamate (PubChem CID 91218699) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is pyrrolidin-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Namepyrrolidin-2-yl N-tert-butylcarbamate
PubChem CID91218699
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepyrrolidin-2-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCCN1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyWUJGZUONCMPOEI-UHFFFAOYSA-N
XLogP1.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-2-yl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl N-tert-butylcarbamate?
The IUPAC name of pyrrolidin-2-yl N-tert-butylcarbamate (CID 91218699) is pyrrolidin-2-yl N-tert-butylcarbamate.
What is the SMILES notation for pyrrolidin-2-yl N-tert-butylcarbamate?
The canonical SMILES for pyrrolidin-2-yl N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCCN1.
What is the InChIKey of pyrrolidin-2-yl N-tert-butylcarbamate?
The InChIKey is WUJGZUONCMPOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)11-8(12)13-7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of pyrrolidin-2-yl N-tert-butylcarbamate?
pyrrolidin-2-yl N-tert-butylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 91218699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).