5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole

C8H15NO — CID 167495202

IUPAC5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole
SMILESCOC1=NC(C)(C)CC1C
InChIInChI=1S/C8H15NO/c1-6-5-8(2,3)9-7(6)10-4/h6H,5H2,1-4H3
InChIKeyIKZWXUCJPWHMIE-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds

About 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole

5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole (PubChem CID 167495202) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole
PubChem CID167495202
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole
SMILESCOC1=NC(C)(C)CC1C
InChIInChI=1S/C8H15NO/c1-6-5-8(2,3)9-7(6)10-4/h6H,5H2,1-4H3
InChIKeyIKZWXUCJPWHMIE-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2,2,4-trimethyl-4,5-dihydro-3H-pyridine
CID 45090929
(6R)-2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine
CID 7004113
sodium 2-methoxy-3,5-dimethyl-5-(oxidooxydiazenyl)-3,4-dihydropyridin-6-imine
CID 59027490
N-(4-methoxyphenyl)-N,4,4,6-tetramethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 566084
methyl (2E)-2-(2,4,4-trimethylcyclopentylidene)acetate
CID 178191203
1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanol
CID 130123661
3,6-dimethoxy-5,5-dimethyl-2-propan-2-yl-2H-pyrazine
CID 90835079
methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
CID 138987540
4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene
CID 54399171
O-[(1R,2R)-1,2-dimethylcyclopropyl]hydroxylamine
CID 54107984
(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane
CID 153317964
4,4,6-trimethyl-2-propan-2-ylsulfanyl-5,6-dihydro-1,3-oxazine;hydroiodide
CID 44657089

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole?
The IUPAC name of 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole (CID 167495202) is 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole.
What is the SMILES notation for 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole?
The canonical SMILES for 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole is COC1=NC(C)(C)CC1C.
What is the InChIKey of 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole?
The InChIKey is IKZWXUCJPWHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-8(2,3)9-7(6)10-4/h6H,5H2,1-4H3.
What are the key properties of 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole?
5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole has a molecular weight of 141.21 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,4-trimethyl-3,4-dihydropyrrole is sourced from PubChem (CID 167495202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).