1-[4-(methylamino)oxolan-3-yl]octan-1-one

C13H25NO2 — CID 116561320

IUPAC1-[4-(methylamino)oxolan-3-yl]octan-1-one
SMILESCCCCCCCC(=O)C1COCC1NC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-13(15)11-9-16-10-12(11)14-2/h11-12,14H,3-10H2,1-2H3
InChIKeyXOJJOLWAFCHFCG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.15
Rot. Bonds8

About 1-[4-(methylamino)oxolan-3-yl]octan-1-one

1-[4-(methylamino)oxolan-3-yl]octan-1-one (PubChem CID 116561320) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolan-3-yl]octan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]octan-1-one
PubChem CID116561320
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[4-(methylamino)oxolan-3-yl]octan-1-one
SMILESCCCCCCCC(=O)C1COCC1NC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-13(15)11-9-16-10-12(11)14-2/h11-12,14H,3-10H2,1-2H3
InChIKeyXOJJOLWAFCHFCG-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
CID 114477902
4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
methyl 4-(hexanoylamino)oxolane-3-carboxylate
CID 20729921
2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate
CID 66265491
1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-[4-(methylamino)oxolan-3-yl]prop-2-en-1-one
CID 116561380

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolan-3-yl]octan-1-one?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]octan-1-one (CID 116561320) is 1-[4-(methylamino)oxolan-3-yl]octan-1-one.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]octan-1-one?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]octan-1-one is CCCCCCCC(=O)C1COCC1NC.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]octan-1-one?
The InChIKey is XOJJOLWAFCHFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-6-7-8-13(15)11-9-16-10-12(11)14-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]octan-1-one?
1-[4-(methylamino)oxolan-3-yl]octan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolan-3-yl]octan-1-one is sourced from PubChem (CID 116561320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).