N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride

C19H18Cl2N2 — CID 6454739

IUPACN-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride
SMILESCl.ClC1=C(/C=N/c2ccccc2)CC/C1=C\Nc1ccccc1
InChIInChI=1S/C19H17ClN2.ClH/c20-19-15(13-21-17-7-3-1-4-8-17)11-12-16(19)14-22-18-9-5-2-6-10-18;/h1-10,13-14,21H,11-12H2;1H/b15-13+,22-14+;
InChIKeyFARWFRQHGZWONA-WYMGATEZSA-N
MW345.27 g/mol
LogP6.09
Rot. Bonds4

About N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride

N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride (PubChem CID 6454739) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride
PubChem CID6454739
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC NameN-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride
SMILESCl.ClC1=C(/C=N/c2ccccc2)CC/C1=C\Nc1ccccc1
InChIInChI=1S/C19H17ClN2.ClH/c20-19-15(13-21-17-7-3-1-4-8-17)11-12-16(19)14-22-18-9-5-2-6-10-18;/h1-10,13-14,21H,11-12H2;1H/b15-13+,22-14+;
InChIKeyFARWFRQHGZWONA-WYMGATEZSA-N
XLogP6.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride?
The IUPAC name of N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride (CID 6454739) is N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride.
What is the SMILES notation for N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride?
The canonical SMILES for N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride is Cl.ClC1=C(/C=N/c2ccccc2)CC/C1=C\Nc1ccccc1.
What is the InChIKey of N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride?
The InChIKey is FARWFRQHGZWONA-WYMGATEZSA-N. The full InChI is InChI=1S/C19H17ClN2.ClH/c20-19-15(13-21-17-7-3-1-4-8-17)11-12-16(19)14-22-18-9-5-2-6-10-18;/h1-10,13-14,21H,11-12H2;1H/b15-13+,22-14+;.
What are the key properties of N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride?
N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride is sourced from PubChem (CID 6454739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).