1,3-dimorpholin-4-ylpropan-2-one

C11H20N2O3 — CID 139559066

IUPAC1,3-dimorpholin-4-ylpropan-2-one
SMILESO=C(CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C11H20N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h1-10H2
InChIKeyBDBYNGAUNVSELQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.78
Rot. Bonds4

About 1,3-dimorpholin-4-ylpropan-2-one

1,3-dimorpholin-4-ylpropan-2-one (PubChem CID 139559066) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,3-dimorpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1,3-dimorpholin-4-ylpropan-2-one
PubChem CID139559066
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1,3-dimorpholin-4-ylpropan-2-one
SMILESO=C(CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C11H20N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h1-10H2
InChIKeyBDBYNGAUNVSELQ-UHFFFAOYSA-N
XLogP-0.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
methyl 2-morpholin-4-ylacetate
CID 1268178
2-[13-(carboxylatomethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetate;nickel(2+);dihydrate
CID 139142546
4-(morpholin-4-ylmethyl)morpholine
CID 21839
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
CID 59303797
CID 59303797
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
N'-methyl-2-morpholin-4-ylacetohydrazide
CID 142817300
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
CID 67707252

Frequently Asked Questions

What is the IUPAC name of 1,3-dimorpholin-4-ylpropan-2-one?
The IUPAC name of 1,3-dimorpholin-4-ylpropan-2-one (CID 139559066) is 1,3-dimorpholin-4-ylpropan-2-one.
What is the SMILES notation for 1,3-dimorpholin-4-ylpropan-2-one?
The canonical SMILES for 1,3-dimorpholin-4-ylpropan-2-one is O=C(CN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 1,3-dimorpholin-4-ylpropan-2-one?
The InChIKey is BDBYNGAUNVSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h1-10H2.
What are the key properties of 1,3-dimorpholin-4-ylpropan-2-one?
1,3-dimorpholin-4-ylpropan-2-one has a molecular weight of 228.29 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimorpholin-4-ylpropan-2-one is sourced from PubChem (CID 139559066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).