[(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol

C11H19NO2 — CID 103874716

IUPAC[(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCC1OCCC1N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C11H19NO2/c1-8-11(4-5-14-8)12-10-3-2-9(6-10)7-13/h2-3,8-13H,4-7H2,1H3/t8?,9-,10+,11?/m0/s1
InChIKeyUPDWMMJBXTXPCO-LIZLNQBYSA-N
MW197.28 g/mol
LogP0.69
Rot. Bonds3

About [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol (PubChem CID 103874716) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol
PubChem CID103874716
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCC1OCCC1N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C11H19NO2/c1-8-11(4-5-14-8)12-10-3-2-9(6-10)7-13/h2-3,8-13H,4-7H2,1H3/t8?,9-,10+,11?/m0/s1
InChIKeyUPDWMMJBXTXPCO-LIZLNQBYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol (CID 103874716) is [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol is CC1OCCC1N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is UPDWMMJBXTXPCO-LIZLNQBYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-11(4-5-14-8)12-10-3-2-9(6-10)7-13/h2-3,8-13H,4-7H2,1H3/t8?,9-,10+,11?/m0/s1.
What are the key properties of [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 197.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(2-methyloxolan-3-yl)amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103874716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).