7-methyl-1-azabicyclo[3.2.0]heptan-4-one

C7H11NO — CID 118138207

IUPAC7-methyl-1-azabicyclo[3.2.0]heptan-4-one
SMILESCC1CC2C(=O)CCN12
InChIInChI=1S/C7H11NO/c1-5-4-6-7(9)2-3-8(5)6/h5-6H,2-4H2,1H3
InChIKeyJJKOVALYNBNVKI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.42
Rot. Bonds

About 7-methyl-1-azabicyclo[3.2.0]heptan-4-one

7-methyl-1-azabicyclo[3.2.0]heptan-4-one (PubChem CID 118138207) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-methyl-1-azabicyclo[3.2.0]heptan-4-one.

Molecular Properties

Compound Name7-methyl-1-azabicyclo[3.2.0]heptan-4-one
PubChem CID118138207
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-methyl-1-azabicyclo[3.2.0]heptan-4-one
SMILESCC1CC2C(=O)CCN12
InChIInChI=1S/C7H11NO/c1-5-4-6-7(9)2-3-8(5)6/h5-6H,2-4H2,1H3
InChIKeyJJKOVALYNBNVKI-UHFFFAOYSA-N
XLogP0.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-azabicyclo[3.2.0]heptane-4,7-dione
CID 19420326
(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione
CID 131019664
3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358153
(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 125486895
4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one
CID 10198369
1-(2,4-dimethylcyclohexyl)-2-methylpiperidin-4-one
CID 63996295
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222
2,3-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-one
CID 103966912
1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one
CID 79406491
1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one
CID 79396612
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CID 91618567

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-azabicyclo[3.2.0]heptan-4-one?
The IUPAC name of 7-methyl-1-azabicyclo[3.2.0]heptan-4-one (CID 118138207) is 7-methyl-1-azabicyclo[3.2.0]heptan-4-one.
What is the SMILES notation for 7-methyl-1-azabicyclo[3.2.0]heptan-4-one?
The canonical SMILES for 7-methyl-1-azabicyclo[3.2.0]heptan-4-one is CC1CC2C(=O)CCN12.
What is the InChIKey of 7-methyl-1-azabicyclo[3.2.0]heptan-4-one?
The InChIKey is JJKOVALYNBNVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6-7(9)2-3-8(5)6/h5-6H,2-4H2,1H3.
What are the key properties of 7-methyl-1-azabicyclo[3.2.0]heptan-4-one?
7-methyl-1-azabicyclo[3.2.0]heptan-4-one has a molecular weight of 125.17 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-azabicyclo[3.2.0]heptan-4-one is sourced from PubChem (CID 118138207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).