1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

C13H25NO — CID 176921046

IUPAC1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESC=C1CN(C)C(CCC)(COC(C)C)C1
InChIInChI=1S/C13H25NO/c1-6-7-13(10-15-11(2)3)8-12(4)9-14(13)5/h11H,4,6-10H2,1-3,5H3
InChIKeyLVFDZVSFSOBVFY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.84
Rot. Bonds5

About 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (PubChem CID 176921046) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
PubChem CID176921046
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESC=C1CN(C)C(CCC)(COC(C)C)C1
InChIInChI=1S/C13H25NO/c1-6-7-13(10-15-11(2)3)8-12(4)9-14(13)5/h11H,4,6-10H2,1-3,5H3
InChIKeyLVFDZVSFSOBVFY-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine;6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922209
2-ethyl-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568736
(2S,4E)-4-(fluoromethylidene)-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177009808
2-(methoxymethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568360
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 169202555
3,4-dimethyl-3-(propan-2-yloxymethyl)morpholine
CID 177126276
[1-methyl-4-methylidene-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methyl N-[(1Z,3E,5Z)-1-(8-ethynylnaphthalen-1-yl)-2-fluoro-5-[(2S)-2-methylbutoxy]-4-[1-(propylamino)ethyl]hepta-1,3,5-trien-3-yl]ethanimidate
CID 175613939
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
CID 157344699
4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299
(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine
CID 177009437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The IUPAC name of 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (CID 176921046) is 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.
What is the SMILES notation for 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The canonical SMILES for 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is C=C1CN(C)C(CCC)(COC(C)C)C1.
What is the InChIKey of 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The InChIKey is LVFDZVSFSOBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-13(10-15-11(2)3)8-12(4)9-14(13)5/h11H,4,6-10H2,1-3,5H3.
What are the key properties of 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidene-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is sourced from PubChem (CID 176921046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).