1,3-di(morpholin-2-yl)propan-1-one

C11H20N2O3 — CID 174895095

IUPAC1,3-di(morpholin-2-yl)propan-1-one
SMILESO=C(CCC1CNCCO1)C1CNCCO1
InChIInChI=1S/C11H20N2O3/c14-10(11-8-13-4-6-16-11)2-1-9-7-12-3-5-15-9/h9,11-13H,1-8H2
InChIKeyUKBDNXMTOJMWJT-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.69
Rot. Bonds4

About 1,3-di(morpholin-2-yl)propan-1-one

1,3-di(morpholin-2-yl)propan-1-one (PubChem CID 174895095) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,3-di(morpholin-2-yl)propan-1-one.

Molecular Properties

Compound Name1,3-di(morpholin-2-yl)propan-1-one
PubChem CID174895095
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1,3-di(morpholin-2-yl)propan-1-one
SMILESO=C(CCC1CNCCO1)C1CNCCO1
InChIInChI=1S/C11H20N2O3/c14-10(11-8-13-4-6-16-11)2-1-9-7-12-3-5-15-9/h9,11-13H,1-8H2
InChIKeyUKBDNXMTOJMWJT-UHFFFAOYSA-N
XLogP-0.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-2-yloctan-1-one
CID 70601940
1-morpholin-2-ylhexadecan-1-one
CID 70404670
2-cyclobutyl-1-morpholin-2-ylethanone
CID 116561623
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
ethane;morpholine-2-carboxylic acid
CID 170608685
(Z)-1-morpholin-2-yloctadec-9-en-1-one
CID 174553797
1-morpholin-2-yl-2-piperazin-2-ylethanone
CID 173017543
(2R)-morpholine-2-carboxamide
CID 51600069
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
4-morpholin-2-ylbutan-1-ol
CID 66968859
ethane;1-morpholin-2-ylethanone
CID 143224838

Frequently Asked Questions

What is the IUPAC name of 1,3-di(morpholin-2-yl)propan-1-one?
The IUPAC name of 1,3-di(morpholin-2-yl)propan-1-one (CID 174895095) is 1,3-di(morpholin-2-yl)propan-1-one.
What is the SMILES notation for 1,3-di(morpholin-2-yl)propan-1-one?
The canonical SMILES for 1,3-di(morpholin-2-yl)propan-1-one is O=C(CCC1CNCCO1)C1CNCCO1.
What is the InChIKey of 1,3-di(morpholin-2-yl)propan-1-one?
The InChIKey is UKBDNXMTOJMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-10(11-8-13-4-6-16-11)2-1-9-7-12-3-5-15-9/h9,11-13H,1-8H2.
What are the key properties of 1,3-di(morpholin-2-yl)propan-1-one?
1,3-di(morpholin-2-yl)propan-1-one has a molecular weight of 228.29 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(morpholin-2-yl)propan-1-one is sourced from PubChem (CID 174895095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).