2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

C15H25NO2 — CID 63564031

IUPAC2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC1CCCO
InChIInChI=1S/C15H25NO2/c17-11-5-9-14-8-4-10-16(14)15(18)12-13-6-2-1-3-7-13/h6,14,17H,1-5,7-12H2
InChIKeyNZWMGTSUHJTSIY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (PubChem CID 63564031) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
PubChem CID63564031
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC1CCCO
InChIInChI=1S/C15H25NO2/c17-11-5-9-14-8-4-10-16(14)15(18)12-13-6-2-1-3-7-13/h6,14,17H,1-5,7-12H2
InChIKeyNZWMGTSUHJTSIY-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (CID 63564031) is 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCCC1CCCO.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NZWMGTSUHJTSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-11-5-9-14-8-4-10-16(14)15(18)12-13-6-2-1-3-7-13/h6,14,17H,1-5,7-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 251.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 63564031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).