2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone

C15H26N2O2 — CID 66053355

IUPAC2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone
SMILESCN(C)CC1CC(O)CN1C(=O)CC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c1-16(2)10-13-9-14(18)11-17(13)15(19)8-12-6-4-3-5-7-12/h6,13-14,18H,3-5,7-11H2,1-2H3
InChIKeyBAJWPWQVTGODBH-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 66053355) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone
PubChem CID66053355
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone
SMILESCN(C)CC1CC(O)CN1C(=O)CC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c1-16(2)10-13-9-14(18)11-17(13)15(19)8-12-6-4-3-5-7-12/h6,13-14,18H,3-5,7-11H2,1-2H3
InChIKeyBAJWPWQVTGODBH-UHFFFAOYSA-N
XLogP1.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone (CID 66053355) is 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone is CN(C)CC1CC(O)CN1C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is BAJWPWQVTGODBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16(2)10-13-9-14(18)11-17(13)15(19)8-12-6-4-3-5-7-12/h6,13-14,18H,3-5,7-11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66053355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).