2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C14H23NO3 — CID 81208049

IUPAC2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C14H23NO3/c1-9-8-18-12(7-16)6-15(9)14(17)13-5-10-2-3-11(13)4-10/h9-13,16H,2-8H2,1H3
InChIKeyUVMBMQQAIDCYGP-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.03
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81208049) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81208049
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C14H23NO3/c1-9-8-18-12(7-16)6-15(9)14(17)13-5-10-2-3-11(13)4-10/h9-13,16H,2-8H2,1H3
InChIKeyUVMBMQQAIDCYGP-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81213790
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213770
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 81204286

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81208049) is 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is UVMBMQQAIDCYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-8-18-12(7-16)6-15(9)14(17)13-5-10-2-3-11(13)4-10/h9-13,16H,2-8H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 253.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81208049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).