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

C12H23ClN2O2 — CID 159585552

IUPACbis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
SMILESCl.N[C@H]1C=C[C@@H](CO)C1.N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/2C6H11NO.ClH/c2*7-6-2-1-5(3-6)4-8;/h2*1-2,5-6,8H,3-4,7H2;1H/t2*5-,6+;/m11./s1
InChIKeyVZEWSLPYWIIMDO-GPOYHVNWSA-N
MW262.78 g/mol
LogP0.19
Rot. Bonds2

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

bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride (PubChem CID 159585552) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride.

Molecular Properties

Compound Namebis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
PubChem CID159585552
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Namebis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
SMILESCl.N[C@H]1C=C[C@@H](CO)C1.N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/2C6H11NO.ClH/c2*7-6-2-1-5(3-6)4-8;/h2*1-2,5-6,8H,3-4,7H2;1H/t2*5-,6+;/m11./s1
InChIKeyVZEWSLPYWIIMDO-GPOYHVNWSA-N
XLogP0.19
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
CID 45078780
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride
CID 130142481
(1S,2S,5S)-5-(hydroxymethyl)cyclohex-3-ene-1,2-diol
CID 101134845
4-(methoxymethyl)cyclopent-2-en-1-amine
CID 130330774
(5-aminocyclohex-3-en-1-yl)methanol
CID 73190674
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol
CID 126807222
4-[(dipropylamino)methyl]cyclopent-2-en-1-amine
CID 79207072
[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol
CID 131135373

Frequently Asked Questions

What is the IUPAC name of bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride?
The IUPAC name of bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride (CID 159585552) is bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride.
What is the SMILES notation for bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride?
The canonical SMILES for bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride is Cl.N[C@H]1C=C[C@@H](CO)C1.N[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride?
The InChIKey is VZEWSLPYWIIMDO-GPOYHVNWSA-N. The full InChI is InChI=1S/2C6H11NO.ClH/c2*7-6-2-1-5(3-6)4-8;/h2*1-2,5-6,8H,3-4,7H2;1H/t2*5-,6+;/m11./s1.
What are the key properties of bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride?
bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 0.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride is sourced from PubChem (CID 159585552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).