cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol

C6H11NO2 — CID 163638929

IUPACcis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol
SMILES[H]/N=C1/C[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H11NO2/c7-5-1-4(3-8)6(9)2-5/h4,6-9H,1-3H2/b7-5-/t4-,6+/m1/s1
InChIKeyICNSMYBVNWERLJ-PEIGIPIJSA-N
MW129.16 g/mol
LogP-0.23
Rot. Bonds1

About cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol

cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol (PubChem CID 163638929) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol
PubChem CID163638929
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol
SMILES[H]/N=C1/C[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H11NO2/c7-5-1-4(3-8)6(9)2-5/h4,6-9H,1-3H2/b7-5-/t4-,6+/m1/s1
InChIKeyICNSMYBVNWERLJ-PEIGIPIJSA-N
XLogP-0.23
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Iminocyclopentyl)methanol
CID 53681316
(3aR,4S)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
CID 118017241
3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-ol
CID 123372844
3-Imino-2-methylcyclopentan-1-ol
CID 123864091
4-Imino-5-methylhexane-1,3-diol
CID 132194323
3-Imino-4-methylcyclopentan-1-ol
CID 145156750
3-(Hydroxymethyl)-4-iminocyclopentan-1-ol
CID 146178043
3-Imino-2,2-dimethylcyclopentan-1-ol
CID 146250665

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol (CID 163638929) is cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol is [H]/N=C1/C[C@H](CO)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol?
The InChIKey is ICNSMYBVNWERLJ-PEIGIPIJSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-1-4(3-8)6(9)2-5/h4,6-9H,1-3H2/b7-5-/t4-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol?
cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol has a molecular weight of 129.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol is sourced from PubChem (CID 163638929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).