5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

C16H17N3O — CID 59930452

IUPAC5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCOc1cccc(-c2cc(C#N)c(N3CCCC3)[nH]2)c1
InChIInChI=1S/C16H17N3O/c1-20-14-6-4-5-12(9-14)15-10-13(11-17)16(18-15)19-7-2-3-8-19/h4-6,9-10,18H,2-3,7-8H2,1H3
InChIKeyAHHBUWWIFJPJCT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.16
Rot. Bonds3

About 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 59930452) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID59930452
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESCOc1cccc(-c2cc(C#N)c(N3CCCC3)[nH]2)c1
InChIInChI=1S/C16H17N3O/c1-20-14-6-4-5-12(9-14)15-10-13(11-17)16(18-15)19-7-2-3-8-19/h4-6,9-10,18H,2-3,7-8H2,1H3
InChIKeyAHHBUWWIFJPJCT-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930376
5-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930255
5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930316
2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 59930298
5-(4-ethoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930326
6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
1-(3-methoxyphenyl)azepane
CID 57276431
3-(3-methoxyphenyl)benzonitrile
CID 4189594
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (CID 59930452) is 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is COc1cccc(-c2cc(C#N)c(N3CCCC3)[nH]2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is AHHBUWWIFJPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-14-6-4-5-12(9-14)15-10-13(11-17)16(18-15)19-7-2-3-8-19/h4-6,9-10,18H,2-3,7-8H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).