1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine

C12H23NO2 — CID 139372320

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine
SMILESC=CCOC1CCN(COC(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-5-8-14-11-6-7-13(9-11)10-15-12(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyAELZQEWNBOCPET-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.04
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine

1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine (PubChem CID 139372320) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine
PubChem CID139372320
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine
SMILESC=CCOC1CCN(COC(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-5-8-14-11-6-7-13(9-11)10-15-12(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyAELZQEWNBOCPET-UHFFFAOYSA-N
XLogP2.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-prop-2-enoxypyrrolidine-1-carboxylate;ethane
CID 145330639
(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-3-prop-2-enoxypyrrolidine
CID 99612751
1,4-bis[(2-methylpropan-2-yl)oxymethyl]piperazine
CID 164817435
(3R)-1-(oxepan-4-yl)-3-prop-2-enoxypyrrolidine
CID 89357684
tert-butyl 2-[(3R)-3-hex-5-enoxypyrrolidin-1-yl]acetate
CID 166984098
2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol
CID 100717167
4-(2-bromoethyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 123168061
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733
1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde
CID 90788429
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-[3-(2-methylpropoxy)propoxy]pyrrolidine
CID 140899224
4-chloro-2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465338
(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 166905468

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine (CID 139372320) is 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine is C=CCOC1CCN(COC(C)(C)C)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine?
The InChIKey is AELZQEWNBOCPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-8-14-11-6-7-13(9-11)10-15-12(2,3)4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine?
1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine is sourced from PubChem (CID 139372320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).