2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile

C15H23N3 — CID 79604601

IUPAC2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCCn1c(C)cc(CNC2CCCC2C#N)c1C
InChIInChI=1S/C15H23N3/c1-4-18-11(2)8-14(12(18)3)10-17-15-7-5-6-13(15)9-16/h8,13,15,17H,4-7,10H2,1-3H3
InChIKeySLSQTHLKLIFFCZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds4

About 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile

2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 79604601) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile
PubChem CID79604601
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCCn1c(C)cc(CNC2CCCC2C#N)c1C
InChIInChI=1S/C15H23N3/c1-4-18-11(2)8-14(12(18)3)10-17-15-7-5-6-13(15)9-16/h8,13,15,17H,4-7,10H2,1-3H3
InChIKeySLSQTHLKLIFFCZ-UHFFFAOYSA-N
XLogP2.91
TPSA40.75 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile (CID 79604601) is 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile is CCn1c(C)cc(CNC2CCCC2C#N)c1C.
What is the InChIKey of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is SLSQTHLKLIFFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-18-11(2)8-14(12(18)3)10-17-15-7-5-6-13(15)9-16/h8,13,15,17H,4-7,10H2,1-3H3.
What are the key properties of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile?
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79604601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).