[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride

C6H12ClNO — CID 10942611

IUPAC[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride
SMILES[Cl-].[NH3+][C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1
InChIKeyDFJSXBUVSKWALM-IBTYICNHSA-N
MW149.62 g/mol
LogP-3.83
Rot. Bonds1

About [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride

[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride (PubChem CID 10942611) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride.

Molecular Properties

Compound Name[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride
PubChem CID10942611
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride
SMILES[Cl-].[NH3+][C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1
InChIKeyDFJSXBUVSKWALM-IBTYICNHSA-N
XLogP-3.83
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 5-3.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride?
The IUPAC name of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride (CID 10942611) is [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride.
What is the SMILES notation for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride?
The canonical SMILES for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride is [Cl-].[NH3+][C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride?
The InChIKey is DFJSXBUVSKWALM-IBTYICNHSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1.
What are the key properties of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride?
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride has a molecular weight of 149.62 g/mol, XLogP of -3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium chloride is sourced from PubChem (CID 10942611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).