2-methyloxirane;2-propylmorpholine

C10H21NO2 — CID 175557051

IUPAC2-methyloxirane;2-propylmorpholine
SMILESCC1CO1.CCCC1CNCCO1
InChIInChI=1S/C7H15NO.C3H6O/c1-2-3-7-6-8-4-5-9-7;1-3-2-4-3/h7-8H,2-6H2,1H3;3H,2H2,1H3
InChIKeyPEQKPYMTAYMWHY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds2

About 2-methyloxirane;2-propylmorpholine

2-methyloxirane;2-propylmorpholine (PubChem CID 175557051) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyloxirane;2-propylmorpholine.

Molecular Properties

Compound Name2-methyloxirane;2-propylmorpholine
PubChem CID175557051
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyloxirane;2-propylmorpholine
SMILESCC1CO1.CCCC1CNCCO1
InChIInChI=1S/C7H15NO.C3H6O/c1-2-3-7-6-8-4-5-9-7;1-3-2-4-3/h7-8H,2-6H2,1H3;3H,2H2,1H3
InChIKeyPEQKPYMTAYMWHY-UHFFFAOYSA-N
XLogP1.18
TPSA33.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyloxirane;2-propylmorpholine 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

N-ethylethanamine;2-propylmorpholine
CID 20504824
2-heptylmorpholine
CID 65122133
(2R)-2-dodecylmorpholine
CID 129384651
2-hexadecylmorpholine;hydrobromide
CID 174842760
azane;2-decylmorpholine;hydroiodide
CID 174921054
7-propyl-1,4-oxazepane
CID 165441817
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644
(2R)-2-[(E)-pent-3-enyl]morpholine
CID 130456713

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;2-propylmorpholine?
The IUPAC name of 2-methyloxirane;2-propylmorpholine (CID 175557051) is 2-methyloxirane;2-propylmorpholine.
What is the SMILES notation for 2-methyloxirane;2-propylmorpholine?
The canonical SMILES for 2-methyloxirane;2-propylmorpholine is CC1CO1.CCCC1CNCCO1.
What is the InChIKey of 2-methyloxirane;2-propylmorpholine?
The InChIKey is PEQKPYMTAYMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H6O/c1-2-3-7-6-8-4-5-9-7;1-3-2-4-3/h7-8H,2-6H2,1H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;2-propylmorpholine?
2-methyloxirane;2-propylmorpholine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;2-propylmorpholine is sourced from PubChem (CID 175557051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).