pyrrolidin-1-yl N-tert-butylcarbamate

C9H18N2O2 — CID 23289140

IUPACpyrrolidin-1-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)ON1CCCC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-8(12)13-11-6-4-5-7-11/h4-7H2,1-3H3,(H,10,12)
InChIKeyOTLBJFIVOWJWMM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.52
Rot. Bonds1

About pyrrolidin-1-yl N-tert-butylcarbamate

pyrrolidin-1-yl N-tert-butylcarbamate (PubChem CID 23289140) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is pyrrolidin-1-yl N-tert-butylcarbamate.

Molecular Properties

Compound Namepyrrolidin-1-yl N-tert-butylcarbamate
PubChem CID23289140
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepyrrolidin-1-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)ON1CCCC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-8(12)13-11-6-4-5-7-11/h4-7H2,1-3H3,(H,10,12)
InChIKeyOTLBJFIVOWJWMM-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl N-tert-butylcarbamate?
The IUPAC name of pyrrolidin-1-yl N-tert-butylcarbamate (CID 23289140) is pyrrolidin-1-yl N-tert-butylcarbamate.
What is the SMILES notation for pyrrolidin-1-yl N-tert-butylcarbamate?
The canonical SMILES for pyrrolidin-1-yl N-tert-butylcarbamate is CC(C)(C)NC(=O)ON1CCCC1.
What is the InChIKey of pyrrolidin-1-yl N-tert-butylcarbamate?
The InChIKey is OTLBJFIVOWJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)10-8(12)13-11-6-4-5-7-11/h4-7H2,1-3H3,(H,10,12).
What are the key properties of pyrrolidin-1-yl N-tert-butylcarbamate?
pyrrolidin-1-yl N-tert-butylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl N-tert-butylcarbamate is sourced from PubChem (CID 23289140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).