[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol

C14H25NO2 — CID 99821509

IUPAC[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol
SMILESCC1(C)C[C@H](N[C@@H]2C=C[C@H](CO)C2)C(C)(C)O1
InChIInChI=1S/C14H25NO2/c1-13(2)8-12(14(3,4)17-13)15-11-6-5-10(7-11)9-16/h5-6,10-12,15-16H,7-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyGNPQVBONRZOYSL-TUAOUCFPSA-N
MW239.36 g/mol
LogP1.86
Rot. Bonds3

About [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 99821509) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID99821509
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol
SMILESCC1(C)C[C@H](N[C@@H]2C=C[C@H](CO)C2)C(C)(C)O1
InChIInChI=1S/C14H25NO2/c1-13(2)8-12(14(3,4)17-13)15-11-6-5-10(7-11)9-16/h5-6,10-12,15-16H,7-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyGNPQVBONRZOYSL-TUAOUCFPSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86787442
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol
CID 115927998
2-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanol
CID 79927130
[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 103874732
bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
CID 159585552
2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone
CID 79911379
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631148
N-methoxy-2,2,5,5-tetramethyloxolan-3-amine
CID 82707260
[(1R,4S)-4-(2-methylpentylamino)cyclopent-2-en-1-yl]methanol
CID 103925169
3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 79927543
2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine
CID 79910449

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol (CID 99821509) is [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol is CC1(C)C[C@H](N[C@@H]2C=C[C@H](CO)C2)C(C)(C)O1.
What is the InChIKey of [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is GNPQVBONRZOYSL-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2)8-12(14(3,4)17-13)15-11-6-5-10(7-11)9-16/h5-6,10-12,15-16H,7-9H2,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 99821509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).