(6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one

C11H17NO — CID 160580382

IUPAC(6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one
SMILESC=C1C[C@]2(CCC)C(=O)CCCN12
InChIInChI=1S/C11H17NO/c1-3-6-11-8-9(2)12(11)7-4-5-10(11)13/h2-8H2,1H3/t11-/m1/s1
InChIKeyBKUXBZZCNCBXCG-LLVKDONJSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds2

About (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one

(6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one (PubChem CID 160580382) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one.

Molecular Properties

Compound Name(6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one
PubChem CID160580382
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one
SMILESC=C1C[C@]2(CCC)C(=O)CCCN12
InChIInChI=1S/C11H17NO/c1-3-6-11-8-9(2)12(11)7-4-5-10(11)13/h2-8H2,1H3/t11-/m1/s1
InChIKeyBKUXBZZCNCBXCG-LLVKDONJSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-methyl-3-oxo-2-prop-2-enylpiperidine-1-carboxylate;methane;(2S)-2-methyl-2-propylpiperidin-3-one;(6R)-6-propyl-1-azabicyclo[4.2.0]octane-5,8-dione
CID 165053136
(7aR)-2-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-7a-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 124887040
3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione
CID 143477465
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
(1R)-3-methylidene-1-propylcyclopentane-1-carboxylic acid
CID 124673165
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
CID 139642366
2-methyl-2-propylcyclobutane-1,3-dione
CID 91117876
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811
(3R)-3-ethyl-3-propylcyclohexan-1-one
CID 121217390
2-methylidene-1-nonylpyrrolidine
CID 70210485

Frequently Asked Questions

What is the IUPAC name of (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one?
The IUPAC name of (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one (CID 160580382) is (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one.
What is the SMILES notation for (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one?
The canonical SMILES for (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one is C=C1C[C@]2(CCC)C(=O)CCCN12.
What is the InChIKey of (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one?
The InChIKey is BKUXBZZCNCBXCG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-6-11-8-9(2)12(11)7-4-5-10(11)13/h2-8H2,1H3/t11-/m1/s1.
What are the key properties of (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one?
(6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-methylidene-6-propyl-1-azabicyclo[4.2.0]octan-5-one is sourced from PubChem (CID 160580382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).