2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile

C15H17N3O — CID 82299236

IUPAC2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
SMILESCC(C)COc1ccc(-c2cc(C#N)c(N)[nH]2)cc1
InChIInChI=1S/C15H17N3O/c1-10(2)9-19-13-5-3-11(4-6-13)14-7-12(8-16)15(17)18-14/h3-7,10,18H,9,17H2,1-2H3
InChIKeyXYDMYLVNGXDQCU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile

2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile (PubChem CID 82299236) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
PubChem CID82299236
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
SMILESCC(C)COc1ccc(-c2cc(C#N)c(N)[nH]2)cc1
InChIInChI=1S/C15H17N3O/c1-10(2)9-19-13-5-3-11(4-6-13)14-7-12(8-16)15(17)18-14/h3-7,10,18H,9,17H2,1-2H3
InChIKeyXYDMYLVNGXDQCU-UHFFFAOYSA-N
XLogP3.17
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82517764
2-methyl-4-(2-methylpropoxy)benzonitrile
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[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
CID 96667603
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
4-amino-2-(2-methylpropoxy)benzonitrile
CID 122504415
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
CID 82479976
5-(4-ethoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930326
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile (CID 82299236) is 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile is CC(C)COc1ccc(-c2cc(C#N)c(N)[nH]2)cc1.
What is the InChIKey of 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile?
The InChIKey is XYDMYLVNGXDQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)9-19-13-5-3-11(4-6-13)14-7-12(8-16)15(17)18-14/h3-7,10,18H,9,17H2,1-2H3.
What are the key properties of 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile?
2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 82299236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).