1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile

C10H15N3O — CID 18772237

IUPAC1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile
SMILESCC(C)C(N)C(=O)N1CC=CC1C#N
InChIInChI=1S/C10H15N3O/c1-7(2)9(12)10(14)13-5-3-4-8(13)6-11/h3-4,7-9H,5,12H2,1-2H3
InChIKeyRVKJRARSNKIVLW-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.26
Rot. Bonds2

About 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile

1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile (PubChem CID 18772237) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile
PubChem CID18772237
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile
SMILESCC(C)C(N)C(=O)N1CC=CC1C#N
InChIInChI=1S/C10H15N3O/c1-7(2)9(12)10(14)13-5-3-4-8(13)6-11/h3-4,7-9H,5,12H2,1-2H3
InChIKeyRVKJRARSNKIVLW-UHFFFAOYSA-N
XLogP0.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile?
The IUPAC name of 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile (CID 18772237) is 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile is CC(C)C(N)C(=O)N1CC=CC1C#N.
What is the InChIKey of 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile?
The InChIKey is RVKJRARSNKIVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)9(12)10(14)13-5-3-4-8(13)6-11/h3-4,7-9H,5,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile?
1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile is sourced from PubChem (CID 18772237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).