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

C13H23NO2 — CID 103874744

IUPAC[(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(CC1CCCO1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C13H23NO2/c1-10(7-13-3-2-6-16-13)14-12-5-4-11(8-12)9-15/h4-5,10-15H,2-3,6-9H2,1H3/t10?,11-,12+,13?/m0/s1
InChIKeyVZTVTIPSTFWHNP-CMOBGSAGSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds5

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

[(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 103874744) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol
PubChem CID103874744
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(CC1CCCO1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C13H23NO2/c1-10(7-13-3-2-6-16-13)14-12-5-4-11(8-12)9-15/h4-5,10-15H,2-3,6-9H2,1H3/t10?,11-,12+,13?/m0/s1
InChIKeyVZTVTIPSTFWHNP-CMOBGSAGSA-N
XLogP1.47
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 ≤ 51.47
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-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol (CID 103874744) is [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol is CC(CC1CCCO1)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is VZTVTIPSTFWHNP-CMOBGSAGSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(7-13-3-2-6-16-13)14-12-5-4-11(8-12)9-15/h4-5,10-15H,2-3,6-9H2,1H3/t10?,11-,12+,13?/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(oxolan-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 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-2-yl)propan-2-ylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103874744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).