2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine

C20H21N3 — CID 54857511

IUPAC2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine
SMILESCc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1C1CC1
InChIInChI=1S/C20H21N3/c1-12-11-16(13(2)23(12)15-9-10-15)20-21-17-7-3-5-14-6-4-8-18(22-20)19(14)17/h3-8,11,15,20-22H,9-10H2,1-2H3
InChIKeyWLTLVMWTHIYQOK-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.13
Rot. Bonds2

About 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine

2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine (PubChem CID 54857511) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine
PubChem CID54857511
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine
SMILESCc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1C1CC1
InChIInChI=1S/C20H21N3/c1-12-11-16(13(2)23(12)15-9-10-15)20-21-17-7-3-5-14-6-4-8-18(22-20)19(14)17/h3-8,11,15,20-22H,9-10H2,1-2H3
InChIKeyWLTLVMWTHIYQOK-UHFFFAOYSA-N
XLogP5.13
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine (CID 54857511) is 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine is Cc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine?
The InChIKey is WLTLVMWTHIYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-12-11-16(13(2)23(12)15-9-10-15)20-21-17-7-3-5-14-6-4-8-18(22-20)19(14)17/h3-8,11,15,20-22H,9-10H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine?
2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine has a molecular weight of 303.41 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 54857511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).