3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine

C12H21NO2 — CID 104855441

IUPAC3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine
SMILESCC(=CC1CCCO1)CC1COCCN1
InChIInChI=1S/C12H21NO2/c1-10(8-12-3-2-5-15-12)7-11-9-14-6-4-13-11/h8,11-13H,2-7,9H2,1H3
InChIKeyRCVPPYJMTFAMJE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds3

About 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine

3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine (PubChem CID 104855441) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine
PubChem CID104855441
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine
SMILESCC(=CC1CCCO1)CC1COCCN1
InChIInChI=1S/C12H21NO2/c1-10(8-12-3-2-5-15-12)7-11-9-14-6-4-13-11/h8,11-13H,2-7,9H2,1H3
InChIKeyRCVPPYJMTFAMJE-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-4-ethyl-2-methyloct-2-enyl]morpholine
CID 113462306
2-(2-methylprop-1-enyl)oxolane
CID 12735917
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
3-(2,3-dimethylhex-2-enyl)morpholine
CID 107889216
3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462311
3-[2-(2-ethylcyclohexylidene)propyl]morpholine
CID 113462307
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
1-cyclopentyl-N-(morpholin-3-ylmethyl)methanamine
CID 115238062
2-(3-cyclohexyl-2-methylprop-2-enyl)piperidine
CID 104855420
1-cyclobutyl-N-(morpholin-3-ylmethyl)methanamine
CID 115238071

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine?
The IUPAC name of 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine (CID 104855441) is 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine.
What is the SMILES notation for 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine?
The canonical SMILES for 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine is CC(=CC1CCCO1)CC1COCCN1.
What is the InChIKey of 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine?
The InChIKey is RCVPPYJMTFAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(8-12-3-2-5-15-12)7-11-9-14-6-4-13-11/h8,11-13H,2-7,9H2,1H3.
What are the key properties of 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine?
3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine is sourced from PubChem (CID 104855441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).