4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile

C8H11N3 — CID 115685826

IUPAC4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CN)cc(C#N)n1C
InChIInChI=1S/C8H11N3/c1-6-7(4-9)3-8(5-10)11(6)2/h3H,4,9H2,1-2H3
InChIKeyNFUWWZXVGTVJTB-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.66
Rot. Bonds1

About 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile

4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 115685826) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID115685826
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CN)cc(C#N)n1C
InChIInChI=1S/C8H11N3/c1-6-7(4-9)3-8(5-10)11(6)2/h3H,4,9H2,1-2H3
InChIKeyNFUWWZXVGTVJTB-UHFFFAOYSA-N
XLogP0.66
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile (CID 115685826) is 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CN)cc(C#N)n1C.
What is the InChIKey of 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is NFUWWZXVGTVJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-7(4-9)3-8(5-10)11(6)2/h3H,4,9H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile?
4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 149.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 115685826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).