(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one

C10H18N2O — CID 51893383

IUPAC(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCCCN1[C@@H]2CC[C@H]1CC(=O)NC2
InChIInChI=1S/C10H18N2O/c1-2-5-12-8-3-4-9(12)7-11-10(13)6-8/h8-9H,2-7H2,1H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyTXUOPEDMZNLAOE-DTWKUNHWSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds2

About (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one

(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 51893383) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID51893383
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCCCN1[C@@H]2CC[C@H]1CC(=O)NC2
InChIInChI=1S/C10H18N2O/c1-2-5-12-8-3-4-9(12)7-11-10(13)6-8/h8-9H,2-7H2,1H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyTXUOPEDMZNLAOE-DTWKUNHWSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
CID 98111580
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
CID 51893373
8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide
CID 172885108
9-[(2-amino-1,3-thiazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 120901077
(1R,6S)-9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133113237
2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
CID 6488066
8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 18919678
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467
9-(3-aminobutanoyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 119805382
(1R,6S)-9-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133110482

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 51893383) is (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one is CCCN1[C@@H]2CC[C@H]1CC(=O)NC2.
What is the InChIKey of (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is TXUOPEDMZNLAOE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-5-12-8-3-4-9(12)7-11-10(13)6-8/h8-9H,2-7H2,1H3,(H,11,13)/t8-,9+/m0/s1.
What are the key properties of (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 182.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 51893383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).