ethyl N-(1H-pyrrol-2-yl)carbamate

C7H10N2O2 — CID 50742608

IUPACethyl N-(1H-pyrrol-2-yl)carbamate
SMILESCCOC(=O)Nc1ccc[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)9-6-4-3-5-8-6/h3-5,8H,2H2,1H3,(H,9,10)
InChIKeyOWGHSZQCPMXFBH-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.58
Rot. Bonds2

About ethyl N-(1H-pyrrol-2-yl)carbamate

ethyl N-(1H-pyrrol-2-yl)carbamate (PubChem CID 50742608) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl N-(1H-pyrrol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-pyrrol-2-yl)carbamate
PubChem CID50742608
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl N-(1H-pyrrol-2-yl)carbamate
SMILESCCOC(=O)Nc1ccc[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)9-6-4-3-5-8-6/h3-5,8H,2H2,1H3,(H,9,10)
InChIKeyOWGHSZQCPMXFBH-UHFFFAOYSA-N
XLogP1.58
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-pyrrol-2-yl)carbamate?
The IUPAC name of ethyl N-(1H-pyrrol-2-yl)carbamate (CID 50742608) is ethyl N-(1H-pyrrol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1H-pyrrol-2-yl)carbamate?
The canonical SMILES for ethyl N-(1H-pyrrol-2-yl)carbamate is CCOC(=O)Nc1ccc[nH]1.
What is the InChIKey of ethyl N-(1H-pyrrol-2-yl)carbamate?
The InChIKey is OWGHSZQCPMXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)9-6-4-3-5-8-6/h3-5,8H,2H2,1H3,(H,9,10).
What are the key properties of ethyl N-(1H-pyrrol-2-yl)carbamate?
ethyl N-(1H-pyrrol-2-yl)carbamate has a molecular weight of 154.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-pyrrol-2-yl)carbamate is sourced from PubChem (CID 50742608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).