4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile

C11H11N3 — CID 15076037

IUPAC4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile
SMILESN#CC1=C(N)CN(c2ccccc2)C1
InChIInChI=1S/C11H11N3/c12-6-9-7-14(8-11(9)13)10-4-2-1-3-5-10/h1-5H,7-8,13H2
InChIKeyZVBFMKPWNRYFPK-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.24
Rot. Bonds1

About 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile

4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile (PubChem CID 15076037) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile
PubChem CID15076037
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile
SMILESN#CC1=C(N)CN(c2ccccc2)C1
InChIInChI=1S/C11H11N3/c12-6-9-7-14(8-11(9)13)10-4-2-1-3-5-10/h1-5H,7-8,13H2
InChIKeyZVBFMKPWNRYFPK-UHFFFAOYSA-N
XLogP1.24
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile?
The IUPAC name of 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile (CID 15076037) is 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile.
What is the SMILES notation for 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile?
The canonical SMILES for 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile is N#CC1=C(N)CN(c2ccccc2)C1.
What is the InChIKey of 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile?
The InChIKey is ZVBFMKPWNRYFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-6-9-7-14(8-11(9)13)10-4-2-1-3-5-10/h1-5H,7-8,13H2.
What are the key properties of 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile?
4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile is sourced from PubChem (CID 15076037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).