2-(aminomethyl)-1-methylpyrrole-3-carbonitrile

C7H9N3 — CID 23301351

IUPAC2-(aminomethyl)-1-methylpyrrole-3-carbonitrile
SMILESCn1ccc(C#N)c1CN
InChIInChI=1S/C7H9N3/c1-10-3-2-6(4-8)7(10)5-9/h2-3H,5,9H2,1H3
InChIKeyRFNYNDHXCBUDFV-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.36
Rot. Bonds1

About 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile

2-(aminomethyl)-1-methylpyrrole-3-carbonitrile (PubChem CID 23301351) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-1-methylpyrrole-3-carbonitrile
PubChem CID23301351
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-(aminomethyl)-1-methylpyrrole-3-carbonitrile
SMILESCn1ccc(C#N)c1CN
InChIInChI=1S/C7H9N3/c1-10-3-2-6(4-8)7(10)5-9/h2-3H,5,9H2,1H3
InChIKeyRFNYNDHXCBUDFV-UHFFFAOYSA-N
XLogP0.36
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile (CID 23301351) is 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile is Cn1ccc(C#N)c1CN.
What is the InChIKey of 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile?
The InChIKey is RFNYNDHXCBUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-10-3-2-6(4-8)7(10)5-9/h2-3H,5,9H2,1H3.
What are the key properties of 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile?
2-(aminomethyl)-1-methylpyrrole-3-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 23301351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).