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

C7H12N2O — CID 134159257

IUPAC(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@@H]2CCC(CN1)N2
InChIInChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6?/m0/s1
InChIKeyOJDDWFBNQVXOPZ-ZBHICJROSA-N
MW140.19 g/mol
LogP-0.37
Rot. Bonds

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

(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 134159257) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID134159257
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@@H]2CCC(CN1)N2
InChIInChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6?/m0/s1
InChIKeyOJDDWFBNQVXOPZ-ZBHICJROSA-N
XLogP-0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51000267
(1S)-3,8-diazabicyclo[3.2.1]octan-2-one
CID 45092766
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
(2R)-2,7-dimethyl-1,4-diazepan-5-one
CID 55300700
(4S)-4-sulfanylpyrrolidin-2-one
CID 10486830
2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 88987015
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
CID 66603050
CID 66603050
3-methylidene-8-azabicyclo[3.2.1]octane
CID 58902776
(5S)-5-hydroxypiperidin-2-one
CID 10964456

Frequently Asked Questions

What is the IUPAC name of (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 134159257) is (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one is O=C1C[C@@H]2CCC(CN1)N2.
What is the InChIKey of (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is OJDDWFBNQVXOPZ-ZBHICJROSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6?/m0/s1.
What are the key properties of (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one?
(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 140.19 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 134159257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).