5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile

C15H24N2 — CID 57259313

IUPAC5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile
SMILESCCC(CCC(C#N)C(C)C)C1(C)C=CC=N1
InChIInChI=1S/C15H24N2/c1-5-14(15(4)9-6-10-17-15)8-7-13(11-16)12(2)3/h6,9-10,12-14H,5,7-8H2,1-4H3
InChIKeyJMSQAHKHKFACSV-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.99
Rot. Bonds6

About 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile

5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile (PubChem CID 57259313) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile.

Molecular Properties

Compound Name5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile
PubChem CID57259313
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile
SMILESCCC(CCC(C#N)C(C)C)C1(C)C=CC=N1
InChIInChI=1S/C15H24N2/c1-5-14(15(4)9-6-10-17-15)8-7-13(11-16)12(2)3/h6,9-10,12-14H,5,7-8H2,1-4H3
InChIKeyJMSQAHKHKFACSV-UHFFFAOYSA-N
XLogP3.99
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
1-(2-Dec-2-enylpyrrol-2-yl)cycloheptane-1-carbonitrile
CID 57199609
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
1-(2-Tert-butylpyrrol-2-yl)cyclohexane-1-carbonitrile
CID 57229231
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile?
The IUPAC name of 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile (CID 57259313) is 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile.
What is the SMILES notation for 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile?
The canonical SMILES for 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile is CCC(CCC(C#N)C(C)C)C1(C)C=CC=N1.
What is the InChIKey of 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile?
The InChIKey is JMSQAHKHKFACSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-14(15(4)9-6-10-17-15)8-7-13(11-16)12(2)3/h6,9-10,12-14H,5,7-8H2,1-4H3.
What are the key properties of 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile?
5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile has a molecular weight of 232.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile is sourced from PubChem (CID 57259313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).