ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine

C17H37NO — CID 142041509

IUPACethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine
SMILESC=C(OC(C)(C)C)C1CCCN1CCC.CC.CC
InChIInChI=1S/C13H25NO.2C2H6/c1-6-9-14-10-7-8-12(14)11(2)15-13(3,4)5;2*1-2/h12H,2,6-10H2,1,3-5H3;2*1-2H3
InChIKeyMUKNBBCRLIAOHR-UHFFFAOYSA-N
MW271.49 g/mol
LogP5.24
Rot. Bonds4

About ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine

ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine (PubChem CID 142041509) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine.

Molecular Properties

Compound Nameethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine
PubChem CID142041509
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Nameethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine
SMILESC=C(OC(C)(C)C)C1CCCN1CCC.CC.CC
InChIInChI=1S/C13H25NO.2C2H6/c1-6-9-14-10-7-8-12(14)11(2)15-13(3,4)5;2*1-2/h12H,2,6-10H2,1,3-5H3;2*1-2H3
InChIKeyMUKNBBCRLIAOHR-UHFFFAOYSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
2-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanethiol
CID 144887254
tert-butyl (2S)-1-but-3-enylpyrrolidine-2-carboxylate
CID 81002810
tert-butyl (2S)-1-(3-amino-3-oxopropyl)pyrrolidine-2-carboxylate
CID 81001922
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
tert-butyl (2S)-1-(3-ethylsulfanylpropyl)pyrrolidine-2-carboxylate
CID 103773649
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine?
The IUPAC name of ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine (CID 142041509) is ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine.
What is the SMILES notation for ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine?
The canonical SMILES for ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine is C=C(OC(C)(C)C)C1CCCN1CCC.CC.CC.
What is the InChIKey of ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine?
The InChIKey is MUKNBBCRLIAOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.2C2H6/c1-6-9-14-10-7-8-12(14)11(2)15-13(3,4)5;2*1-2/h12H,2,6-10H2,1,3-5H3;2*1-2H3.
What are the key properties of ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine?
ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine has a molecular weight of 271.49 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propylpyrrolidine is sourced from PubChem (CID 142041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).