2-(1H-pyrrol-2-yl)ethylazanium

C6H11N2+ — CID 51919094

IUPAC2-(1H-pyrrol-2-yl)ethylazanium
SMILES[NH3+]CCc1ccc[nH]1
InChIInChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3-4,7H2/p+1
InChIKeyIAZZNTYMXXEHHT-UHFFFAOYSA-O
MW111.17 g/mol
LogP-0.20
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)ethylazanium

2-(1H-pyrrol-2-yl)ethylazanium (PubChem CID 51919094) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)ethylazanium.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)ethylazanium
PubChem CID51919094
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name2-(1H-pyrrol-2-yl)ethylazanium
SMILES[NH3+]CCc1ccc[nH]1
InChIInChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3-4,7H2/p+1
InChIKeyIAZZNTYMXXEHHT-UHFFFAOYSA-O
XLogP-0.20
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
N-(2-chloroethyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 115215062
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
1H-pyrrol-2-ylmethylhydrazine
CID 53275207
2-prop-2-ynyl-1H-pyrrole
CID 12008703
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propan-1-amine
CID 115215842
2-(2-ethenoxyethyl)-1H-pyrrole
CID 18539708
potassium 1H-pyrrol-2-ylmethanolate
CID 140988269
methane;1H-pyrrol-2-ylmethanamine
CID 162272370
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)ethylazanium?
The IUPAC name of 2-(1H-pyrrol-2-yl)ethylazanium (CID 51919094) is 2-(1H-pyrrol-2-yl)ethylazanium.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)ethylazanium?
The canonical SMILES for 2-(1H-pyrrol-2-yl)ethylazanium is [NH3+]CCc1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)ethylazanium?
The InChIKey is IAZZNTYMXXEHHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3-4,7H2/p+1.
What are the key properties of 2-(1H-pyrrol-2-yl)ethylazanium?
2-(1H-pyrrol-2-yl)ethylazanium has a molecular weight of 111.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)ethylazanium is sourced from PubChem (CID 51919094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).