(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium

C23H24N3+ — CID 7397324

IUPAC(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium
SMILESN#Cc1ccccc1C[NH+](Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C23H23N3/c24-15-20-9-4-5-10-21(20)17-26(22-12-13-22)18-23-11-6-14-25(23)16-19-7-2-1-3-8-19/h1-11,14,22H,12-13,16-18H2/p+1
InChIKeyPKZZOBHOOVYJIQ-UHFFFAOYSA-O
MW342.47 g/mol
LogP3.16
Rot. Bonds7

About (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium

(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium (PubChem CID 7397324) has the molecular formula C23H24N3+ and a molecular weight of 342.47 g/mol. Its IUPAC name is (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium.

Molecular Properties

Compound Name(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium
PubChem CID7397324
Molecular FormulaC23H24N3+
Molecular Weight342.47 g/mol
Exact Mass342.20
IUPAC Name(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium
SMILESN#Cc1ccccc1C[NH+](Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C23H23N3/c24-15-20-9-4-5-10-21(20)17-26(22-12-13-22)18-23-11-6-14-25(23)16-19-7-2-1-3-8-19/h1-11,14,22H,12-13,16-18H2/p+1
InChIKeyPKZZOBHOOVYJIQ-UHFFFAOYSA-O
XLogP3.16
TPSA33.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium?
The IUPAC name of (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium (CID 7397324) is (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium.
What is the SMILES notation for (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium?
The canonical SMILES for (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium is N#Cc1ccccc1C[NH+](Cc1cccn1Cc1ccccc1)C1CC1.
What is the InChIKey of (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium?
The InChIKey is PKZZOBHOOVYJIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23N3/c24-15-20-9-4-5-10-21(20)17-26(22-12-13-22)18-23-11-6-14-25(23)16-19-7-2-1-3-8-19/h1-11,14,22H,12-13,16-18H2/p+1.
What are the key properties of (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium?
(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium has a molecular weight of 342.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium is sourced from PubChem (CID 7397324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).