tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate

C11H18N2O2 — CID 141041637

IUPACtert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9-4-6-12-8-9/h4,6,8,12H,5,7H2,1-3H3,(H,13,14)
InChIKeyRUDVYMHILUYDGF-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.08
Rot. Bonds3

About tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate

tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate (PubChem CID 141041637) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
PubChem CID141041637
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nametert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9-4-6-12-8-9/h4,6,8,12H,5,7H2,1-3H3,(H,13,14)
InChIKeyRUDVYMHILUYDGF-UHFFFAOYSA-N
XLogP2.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
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2-(1H-pyrrol-3-yl)ethylurea
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methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
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tert-butyl N-[2-(methylamino)-2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861272
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
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tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
CID 170489943
tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[2-(1H-pyrrol-3-ylmethylamino)cyclopropyl]carbamate
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tert-butyl N-[2-(4-prop-1-ynylphenyl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate (CID 141041637) is tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc[nH]c1.
What is the InChIKey of tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate?
The InChIKey is RUDVYMHILUYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9-4-6-12-8-9/h4,6,8,12H,5,7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate has a molecular weight of 210.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate is sourced from PubChem (CID 141041637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).