1,5-dibutylpyrrole-2-carbonitrile

C13H20N2 — CID 100793160

IUPAC1,5-dibutylpyrrole-2-carbonitrile
SMILESCCCCc1ccc(C#N)n1CCCC
InChIInChI=1S/C13H20N2/c1-3-5-7-12-8-9-13(11-14)15(12)10-6-4-2/h8-9H,3-7,10H2,1-2H3
InChIKeyWTTVVYWVXDXGMV-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.50
Rot. Bonds6

About 1,5-dibutylpyrrole-2-carbonitrile

1,5-dibutylpyrrole-2-carbonitrile (PubChem CID 100793160) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,5-dibutylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dibutylpyrrole-2-carbonitrile
PubChem CID100793160
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,5-dibutylpyrrole-2-carbonitrile
SMILESCCCCc1ccc(C#N)n1CCCC
InChIInChI=1S/C13H20N2/c1-3-5-7-12-8-9-13(11-14)15(12)10-6-4-2/h8-9H,3-7,10H2,1-2H3
InChIKeyWTTVVYWVXDXGMV-UHFFFAOYSA-N
XLogP3.50
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-5-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100793534
5-(cyclohexylmethyl)-1-propylpyrrole-2-carbonitrile
CID 100792772
4-amino-1-butyl-5-chloropyrrole-2-carbonitrile
CID 100775495
(5-butyl-1-ethylpyrrol-2-yl)methanol
CID 100793109
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-[(2-butyl-6-oxo-1-pyridinyl)methyl]benzonitrile
CID 54543964
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 4557970
5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile
CID 91606925
5-(2-phenylethyl)-1-prop-2-enylpyrrole-2-carbonitrile
CID 100793428
1-butylpyrrole-3-carbonitrile
CID 130748337
2-[4-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutylpyrrole-2-carbonitrile?
The IUPAC name of 1,5-dibutylpyrrole-2-carbonitrile (CID 100793160) is 1,5-dibutylpyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dibutylpyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dibutylpyrrole-2-carbonitrile is CCCCc1ccc(C#N)n1CCCC.
What is the InChIKey of 1,5-dibutylpyrrole-2-carbonitrile?
The InChIKey is WTTVVYWVXDXGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-5-7-12-8-9-13(11-14)15(12)10-6-4-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1,5-dibutylpyrrole-2-carbonitrile?
1,5-dibutylpyrrole-2-carbonitrile has a molecular weight of 204.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutylpyrrole-2-carbonitrile is sourced from PubChem (CID 100793160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).