N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

C8H9N3 — CID 68544991

IUPACN-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESc1c[nH]c(Nc2ccc[nH]2)c1
InChIInChI=1S/C8H9N3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9-11H
InChIKeyLMFWIWIUUWZBHG-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.09
Rot. Bonds2

About N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (PubChem CID 68544991) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
PubChem CID68544991
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESc1c[nH]c(Nc2ccc[nH]2)c1
InChIInChI=1S/C8H9N3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9-11H
InChIKeyLMFWIWIUUWZBHG-UHFFFAOYSA-N
XLogP2.09
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The IUPAC name of N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (CID 68544991) is N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The canonical SMILES for N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is c1c[nH]c(Nc2ccc[nH]2)c1.
What is the InChIKey of N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The InChIKey is LMFWIWIUUWZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9-11H.
What are the key properties of N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine has a molecular weight of 147.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 68544991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).