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

C13H23NO2 — CID 103874731

IUPAC[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
SMILESCCC(N[C@@H]1C=C[C@H](CO)C1)C1CCOC1
InChIInChI=1S/C13H23NO2/c1-2-13(11-5-6-16-9-11)14-12-4-3-10(7-12)8-15/h3-4,10-15H,2,5-9H2,1H3/t10-,11?,12+,13?/m0/s1
InChIKeyQAJJBVJVHPWJSA-GMKTYKIGSA-N
MW225.33 g/mol
LogP1.33
Rot. Bonds5

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

[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 103874731) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
PubChem CID103874731
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol
SMILESCCC(N[C@@H]1C=C[C@H](CO)C1)C1CCOC1
InChIInChI=1S/C13H23NO2/c1-2-13(11-5-6-16-9-11)14-12-4-3-10(7-12)8-15/h3-4,10-15H,2,5-9H2,1H3/t10-,11?,12+,13?/m0/s1
InChIKeyQAJJBVJVHPWJSA-GMKTYKIGSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
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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Related Compounds

[(1R,4S)-4-[1-(oxan-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 103874732
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea
CID 127785789
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
CID 115727563
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
CID 115894970
3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
CID 115921108
2-[[1-(oxolan-3-yl)propylamino]methyl]cyclopentan-1-ol
CID 115724703
N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol
CID 61055158
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol (CID 103874731) is [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol is CCC(N[C@@H]1C=C[C@H](CO)C1)C1CCOC1.
What is the InChIKey of [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is QAJJBVJVHPWJSA-GMKTYKIGSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-13(11-5-6-16-9-11)14-12-4-3-10(7-12)8-15/h3-4,10-15H,2,5-9H2,1H3/t10-,11?,12+,13?/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(oxolan-3-yl)propylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103874731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).