2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole

C13H17NO — CID 177461174

IUPAC2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole
SMILESCOC1CC(C)(C)C(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-13(2)9-11(15-3)14-12(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyPZKOBIASTHSACI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.88
Rot. Bonds2

About 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole

2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole (PubChem CID 177461174) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole
PubChem CID177461174
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole
SMILESCOC1CC(C)(C)C(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-13(2)9-11(15-3)14-12(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyPZKOBIASTHSACI-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3,3-dimethyl-1-oxido-5-[(E)-2-phenylethenyl]-2,4-dihydropyrrol-1-ium
CID 45277869
2-ethoxy-3,3-dimethyl-1-oxido-5-[(E)-2-phenylethenyl]-2,4-dihydropyrrol-1-ium
CID 71716952
6-Methoxy-4,4-dimethyl-3-phenyl-2,3,4,5-tetrahydropyridine
CID 132342089
ST026286
CID 3251128
(r,s)-2,4,4-Trimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 13734883
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
2-methoxy-3-phenyl-2H-azirine
CID 14088933
5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-2H-pyrrole
CID 157929890
7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole?
The IUPAC name of 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole (CID 177461174) is 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole.
What is the SMILES notation for 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole?
The canonical SMILES for 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole is COC1CC(C)(C)C(c2ccccc2)=N1.
What is the InChIKey of 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole?
The InChIKey is PZKOBIASTHSACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2)9-11(15-3)14-12(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole?
2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole has a molecular weight of 203.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4-dimethyl-5-phenyl-2,3-dihydropyrrole is sourced from PubChem (CID 177461174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).