1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile

C11H15N3O — CID 18772241

IUPAC1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile
SMILESC=C(C)CC(N)C(=O)N1CC=CC1C#N
InChIInChI=1S/C11H15N3O/c1-8(2)6-10(13)11(15)14-5-3-4-9(14)7-12/h3-4,9-10H,1,5-6,13H2,2H3
InChIKeyHYMAYUWRPPATAA-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.57
Rot. Bonds3

About 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile

1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile (PubChem CID 18772241) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile
PubChem CID18772241
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile
SMILESC=C(C)CC(N)C(=O)N1CC=CC1C#N
InChIInChI=1S/C11H15N3O/c1-8(2)6-10(13)11(15)14-5-3-4-9(14)7-12/h3-4,9-10H,1,5-6,13H2,2H3
InChIKeyHYMAYUWRPPATAA-UHFFFAOYSA-N
XLogP0.57
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.57
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-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile?
The IUPAC name of 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile (CID 18772241) is 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile is C=C(C)CC(N)C(=O)N1CC=CC1C#N.
What is the InChIKey of 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile?
The InChIKey is HYMAYUWRPPATAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)6-10(13)11(15)14-5-3-4-9(14)7-12/h3-4,9-10H,1,5-6,13H2,2H3.
What are the key properties of 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile?
1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylpent-4-enoyl)-2,5-dihydropyrrole-2-carbonitrile is sourced from PubChem (CID 18772241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).