5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one

C13H24N2O2 — CID 79209523

IUPAC5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
SMILESCN1C2CCC1CN(C(=O)CCCCO)CC2
InChIInChI=1S/C13H24N2O2/c1-14-11-5-6-12(14)10-15(8-7-11)13(17)4-2-3-9-16/h11-12,16H,2-10H2,1H3
InChIKeyYMWKEVVXGWUULU-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.84
Rot. Bonds4

About 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one

5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one (PubChem CID 79209523) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
PubChem CID79209523
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
SMILESCN1C2CCC1CN(C(=O)CCCCO)CC2
InChIInChI=1S/C13H24N2O2/c1-14-11-5-6-12(14)10-15(8-7-11)13(17)4-2-3-9-16/h11-12,16H,2-10H2,1H3
InChIKeyYMWKEVVXGWUULU-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one
CID 79171040
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 79192941
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
1-(5-hydroxypentanoyl)piperidine-4-carboxamide
CID 79199439
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one?
The IUPAC name of 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one (CID 79209523) is 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one?
The canonical SMILES for 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one is CN1C2CCC1CN(C(=O)CCCCO)CC2.
What is the InChIKey of 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one?
The InChIKey is YMWKEVVXGWUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-11-5-6-12(14)10-15(8-7-11)13(17)4-2-3-9-16/h11-12,16H,2-10H2,1H3.
What are the key properties of 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one?
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one is sourced from PubChem (CID 79209523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).