formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one

C10H19NO3 — CID 143869951

IUPACformaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
SMILESC=O.CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO2.CH2O/c1-8(2)7-9(11)10-3-5-12-6-4-10;1-2/h8H,3-7H2,1-2H3;1H2
InChIKeyLUJNNDVSXHDQSP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds2

About formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one

formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 143869951) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Nameformaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID143869951
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameformaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
SMILESC=O.CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO2.CH2O/c1-8(2)7-9(11)10-3-5-12-6-4-10;1-2/h8H,3-7H2,1-2H3;1H2
InChIKeyLUJNNDVSXHDQSP-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 166717166
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
4-(diethylamino)-3-methyl-1-morpholin-4-ylpentan-1-one
CID 166717167
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
CID 11565984
1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one
CID 89296573
2-(2-methylpropoxyamino)-1-morpholin-4-ylethanone
CID 82715515
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
2-(1-iodoethoxy)-1-morpholin-4-ylethanone
CID 139461043

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one (CID 143869951) is formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one is C=O.CC(C)CC(=O)N1CCOCC1.
What is the InChIKey of formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is LUJNNDVSXHDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.CH2O/c1-8(2)7-9(11)10-3-5-12-6-4-10;1-2/h8H,3-7H2,1-2H3;1H2.
What are the key properties of formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one?
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 143869951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).