[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

C6H12ClNO — CID 12899914

IUPAC[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride
SMILESCl.N[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+;/m0./s1
InChIKeyDFJSXBUVSKWALM-RIHPBJNCSA-N
MW149.62 g/mol
LogP0.30
Rot. Bonds1

About [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride (PubChem CID 12899914) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride
PubChem CID12899914
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride
SMILESCl.N[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+;/m0./s1
InChIKeyDFJSXBUVSKWALM-RIHPBJNCSA-N
XLogP0.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-Aminocyclopent-2-en-1-yl]methanol
CID 9934457
(1S,4R)-4-amino-2-cyclopentene-1-methanol
CID 9793729
2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-
CID 53471860
(4-Aminocyclopent-2-en-1-yl)methanol
CID 10313113
[4-(Aminomethyl)cyclopent-2-en-1-yl]methanol
CID 85412251
[(1R,2S)-2-aminocyclopent-3-en-1-yl]methanol
CID 12081657
[(1S,4R)-4-amino-2-methylcyclopent-2-en-1-yl]methanol
CID 55285248
(2-Aminocyclopent-3-en-1-yl)methanol
CID 85433880
[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol
CID 122379831
[(1S,4R)-4-amino-3-fluorocyclopent-2-en-1-yl]methanol
CID 55284741
[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol
CID 11137176
((1S,4S)-4-Aminocyclopent-2-en-1-yl)methanol
CID 9793730

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride?
The IUPAC name of [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride (CID 12899914) is [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride.
What is the SMILES notation for [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride?
The canonical SMILES for [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride is Cl.N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride?
The InChIKey is DFJSXBUVSKWALM-RIHPBJNCSA-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+;/m0./s1.
What are the key properties of [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride?
[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride is sourced from PubChem (CID 12899914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).