2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile

C10H15N3 — CID 3403780

IUPAC2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile
SMILESCCCc1c(CC)[nH]c(N)c1C#N
InChIInChI=1S/C10H15N3/c1-3-5-7-8(6-11)10(12)13-9(7)4-2/h13H,3-5,12H2,1-2H3
InChIKeyJMRXTZNCZBGONI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile

2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile (PubChem CID 3403780) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile
PubChem CID3403780
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile
SMILESCCCc1c(CC)[nH]c(N)c1C#N
InChIInChI=1S/C10H15N3/c1-3-5-7-8(6-11)10(12)13-9(7)4-2/h13H,3-5,12H2,1-2H3
InChIKeyJMRXTZNCZBGONI-UHFFFAOYSA-N
XLogP1.98
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile (CID 3403780) is 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile is CCCc1c(CC)[nH]c(N)c1C#N.
What is the InChIKey of 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile?
The InChIKey is JMRXTZNCZBGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-5-7-8(6-11)10(12)13-9(7)4-2/h13H,3-5,12H2,1-2H3.
What are the key properties of 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile?
2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile has a molecular weight of 177.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 3403780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).