[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol

C14H23NO2 — CID 86787442

IUPAC[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCC1(C)C(N[C@@H]2C=C[C@H](CO)C2)C2CCOC21
InChIInChI=1S/C14H23NO2/c1-14(2)12(11-5-6-17-13(11)14)15-10-4-3-9(7-10)8-16/h3-4,9-13,15-16H,5-8H2,1-2H3/t9-,10+,11?,12?,13?/m0/s1
InChIKeyHZEKLJINIFYEKT-JTARRIQESA-N
MW237.34 g/mol
LogP1.33
Rot. Bonds3

About [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787442) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol
PubChem CID86787442
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCC1(C)C(N[C@@H]2C=C[C@H](CO)C2)C2CCOC21
InChIInChI=1S/C14H23NO2/c1-14(2)12(11-5-6-17-13(11)14)15-10-4-3-9(7-10)8-16/h3-4,9-13,15-16H,5-8H2,1-2H3/t9-,10+,11?,12?,13?/m0/s1
InChIKeyHZEKLJINIFYEKT-JTARRIQESA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.33
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-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol (CID 86787442) is [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol is CC1(C)C(N[C@@H]2C=C[C@H](CO)C2)C2CCOC21.
What is the InChIKey of [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is HZEKLJINIFYEKT-JTARRIQESA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2)12(11-5-6-17-13(11)14)15-10-4-3-9(7-10)8-16/h3-4,9-13,15-16H,5-8H2,1-2H3/t9-,10+,11?,12?,13?/m0/s1.
What are the key properties of [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 237.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).