7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone

C13H21NO2 — CID 71925557

IUPAC7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1C2CCCCC21
InChIInChI=1S/C13H21NO2/c1-9-8-16-7-6-14(9)13(15)12-10-4-2-3-5-11(10)12/h9-12H,2-8H2,1H3
InChIKeyUIGOGFXXUORZIS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.67
Rot. Bonds1

About 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone

7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone (PubChem CID 71925557) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
PubChem CID71925557
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1C2CCCCC21
InChIInChI=1S/C13H21NO2/c1-9-8-16-7-6-14(9)13(15)12-10-4-2-3-5-11(10)12/h9-12H,2-8H2,1H3
InChIKeyUIGOGFXXUORZIS-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(3-methylmorpholin-4-yl)-(3-methylpiperidin-2-yl)methanone
CID 62340300
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953
7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
(4-aminooxolan-3-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774354
(4-aminocyclopent-2-en-1-yl)-(3-methylmorpholin-4-yl)methanone
CID 79211164
[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 146129267
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone (CID 71925557) is 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone?
The InChIKey is UIGOGFXXUORZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-8-16-7-6-14(9)13(15)12-10-4-2-3-5-11(10)12/h9-12H,2-8H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 71925557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).