(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol

C13H23NO2 — CID 57076025

IUPAC(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
SMILESCOC=CC[C@H]1[C@@H](O)CC[C@@H]1N1CCCC1
InChIInChI=1S/C13H23NO2/c1-16-10-4-5-11-12(6-7-13(11)15)14-8-2-3-9-14/h4,10-13,15H,2-3,5-9H2,1H3/t11-,12+,13+/m1/s1
InChIKeyMQWKPILUIHWNTE-AGIUHOORSA-N
MW225.33 g/mol
LogP1.77
Rot. Bonds4

About (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol

(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol (PubChem CID 57076025) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
PubChem CID57076025
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
SMILESCOC=CC[C@H]1[C@@H](O)CC[C@@H]1N1CCCC1
InChIInChI=1S/C13H23NO2/c1-16-10-4-5-11-12(6-7-13(11)15)14-8-2-3-9-14/h4,10-13,15H,2-3,5-9H2,1H3/t11-,12+,13+/m1/s1
InChIKeyMQWKPILUIHWNTE-AGIUHOORSA-N
XLogP1.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol (CID 57076025) is (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol is COC=CC[C@H]1[C@@H](O)CC[C@@H]1N1CCCC1.
What is the InChIKey of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol?
The InChIKey is MQWKPILUIHWNTE-AGIUHOORSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-10-4-5-11-12(6-7-13(11)15)14-8-2-3-9-14/h4,10-13,15H,2-3,5-9H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol?
(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol is sourced from PubChem (CID 57076025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).