3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione

C10H17NO3 — CID 58498578

IUPAC3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
SMILESCC(C)(C)C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-10(2,3)8(12)9(13)11-4-6-14-7-5-11/h4-7H2,1-3H3
InChIKeyWZUWSXJPRPWNSW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds1

About 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione

3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione (PubChem CID 58498578) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
PubChem CID58498578
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
SMILESCC(C)(C)C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-10(2,3)8(12)9(13)11-4-6-14-7-5-11/h4-7H2,1-3H3
InChIKeyWZUWSXJPRPWNSW-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
CID 130450263
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one
CID 71319313
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
N-(3,3-dimethyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152144
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione (CID 58498578) is 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione is CC(C)(C)C(=O)C(=O)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione?
The InChIKey is WZUWSXJPRPWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)8(12)9(13)11-4-6-14-7-5-11/h4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione?
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione has a molecular weight of 199.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione is sourced from PubChem (CID 58498578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).