tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate

C10H16N2O2 — CID 106385418

IUPACtert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h4-6,11H,7H2,1-3H3,(H,12,13)
InChIKeySWOZAAWMLQQZOL-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate

tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate (PubChem CID 106385418) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate
PubChem CID106385418
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nametert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h4-6,11H,7H2,1-3H3,(H,12,13)
InChIKeySWOZAAWMLQQZOL-UHFFFAOYSA-N
XLogP2.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate (CID 106385418) is tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1cc[nH]c1.
What is the InChIKey of tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate?
The InChIKey is SWOZAAWMLQQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h4-6,11H,7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate?
tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate has a molecular weight of 196.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate is sourced from PubChem (CID 106385418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).