6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one

C13H26N2O2 — CID 106801504

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C13H26N2O2/c1-4-12(16)6-5-7-15-10-13(17)8-11(15)9-14(2)3/h11,13,17H,4-10H2,1-3H3
InChIKeyANPWEYCXQSGLBU-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.74
Rot. Bonds7

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one (PubChem CID 106801504) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
PubChem CID106801504
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C13H26N2O2/c1-4-12(16)6-5-7-15-10-13(17)8-11(15)9-14(2)3/h11,13,17H,4-10H2,1-3H3
InChIKeyANPWEYCXQSGLBU-UHFFFAOYSA-N
XLogP0.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one (CID 106801504) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one is CCC(=O)CCCN1CC(O)CC1CN(C)C.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one?
The InChIKey is ANPWEYCXQSGLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(16)6-5-7-15-10-13(17)8-11(15)9-14(2)3/h11,13,17H,4-10H2,1-3H3.
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one has a molecular weight of 242.36 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one is sourced from PubChem (CID 106801504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).