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

C8H14N2O — CID 55252779

IUPAC(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCN1[C@@H]2CC[C@H]1CC(=O)NC2
InChIInChI=1S/C8H14N2O/c1-10-6-2-3-7(10)5-9-8(11)4-6/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyZPLMTUXXQQUKDH-NKWVEPMBSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds

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

(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 55252779) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID55252779
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCN1[C@@H]2CC[C@H]1CC(=O)NC2
InChIInChI=1S/C8H14N2O/c1-10-6-2-3-7(10)5-9-8(11)4-6/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyZPLMTUXXQQUKDH-NKWVEPMBSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
CID 51893373
9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 119335995
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one
CID 98518623
9-(3-aminobutanoyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 119805382
(1S,6R)-9-(1,4-dithiepan-6-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50949751
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467
trans-(1R,2R)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]cyclobutane-1-carboxylic acid
CID 129466723
(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
CID 98111580

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 55252779) is (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one is CN1[C@@H]2CC[C@H]1CC(=O)NC2.
What is the InChIKey of (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is ZPLMTUXXQQUKDH-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-6-2-3-7(10)5-9-8(11)4-6/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1.
What are the key properties of (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 55252779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).