2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine

C9H14N2 — CID 130061027

IUPAC2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine
SMILESC=CC(C)(N)c1ccc(C)[nH]1
InChIInChI=1S/C9H14N2/c1-4-9(3,10)8-6-5-7(2)11-8/h4-6,11H,1,10H2,2-3H3
InChIKeyMKLFBWLWTQHWPU-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.68
Rot. Bonds2

About 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine

2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine (PubChem CID 130061027) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine
PubChem CID130061027
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine
SMILESC=CC(C)(N)c1ccc(C)[nH]1
InChIInChI=1S/C9H14N2/c1-4-9(3,10)8-6-5-7(2)11-8/h4-6,11H,1,10H2,2-3H3
InChIKeyMKLFBWLWTQHWPU-UHFFFAOYSA-N
XLogP1.68
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine?
The IUPAC name of 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine (CID 130061027) is 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine.
What is the SMILES notation for 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine?
The canonical SMILES for 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine is C=CC(C)(N)c1ccc(C)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine?
The InChIKey is MKLFBWLWTQHWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(3,10)8-6-5-7(2)11-8/h4-6,11H,1,10H2,2-3H3.
What are the key properties of 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine?
2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrrol-2-yl)but-3-en-2-amine is sourced from PubChem (CID 130061027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).