4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile

C15H23N3 — CID 100767590

IUPAC4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile
SMILESCC(C)CCc1c(N)cc(C#N)n1C1CCCC1
InChIInChI=1S/C15H23N3/c1-11(2)7-8-15-14(17)9-13(10-16)18(15)12-5-3-4-6-12/h9,11-12H,3-8,17H2,1-2H3
InChIKeyQZSOPFCVQJYVPG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.65
Rot. Bonds4

About 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile

4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile (PubChem CID 100767590) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile
PubChem CID100767590
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile
SMILESCC(C)CCc1c(N)cc(C#N)n1C1CCCC1
InChIInChI=1S/C15H23N3/c1-11(2)7-8-15-14(17)9-13(10-16)18(15)12-5-3-4-6-12/h9,11-12H,3-8,17H2,1-2H3
InChIKeyQZSOPFCVQJYVPG-UHFFFAOYSA-N
XLogP3.65
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile (CID 100767590) is 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile is CC(C)CCc1c(N)cc(C#N)n1C1CCCC1.
What is the InChIKey of 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile?
The InChIKey is QZSOPFCVQJYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)7-8-15-14(17)9-13(10-16)18(15)12-5-3-4-6-12/h9,11-12H,3-8,17H2,1-2H3.
What are the key properties of 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile?
4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 100767590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).