2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole

C12H23NO — CID 58778682

IUPAC2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole
SMILESCOCC1C=CC(C(C)C)N1C(C)C
InChIInChI=1S/C12H23NO/c1-9(2)12-7-6-11(8-14-5)13(12)10(3)4/h6-7,9-12H,8H2,1-5H3
InChIKeyWAPLKZIVEQRPAB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds4

About 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole

2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole (PubChem CID 58778682) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole
PubChem CID58778682
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole
SMILESCOCC1C=CC(C(C)C)N1C(C)C
InChIInChI=1S/C12H23NO/c1-9(2)12-7-6-11(8-14-5)13(12)10(3)4/h6-7,9-12H,8H2,1-5H3
InChIKeyWAPLKZIVEQRPAB-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole?
The IUPAC name of 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole (CID 58778682) is 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole.
What is the SMILES notation for 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole?
The canonical SMILES for 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole is COCC1C=CC(C(C)C)N1C(C)C.
What is the InChIKey of 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole?
The InChIKey is WAPLKZIVEQRPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)12-7-6-11(8-14-5)13(12)10(3)4/h6-7,9-12H,8H2,1-5H3.
What are the key properties of 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole?
2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole has a molecular weight of 197.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole is sourced from PubChem (CID 58778682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).