3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol

C11H15NO — CID 123216176

IUPAC3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(C2CC=NC2)C=CCC1O
InChIInChI=1S/C11H15NO/c1-8-10(3-2-4-11(8)13)9-5-6-12-7-9/h2-3,6,9,11,13H,4-5,7H2,1H3
InChIKeyGVJAOLUVBNUZLR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol

3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol (PubChem CID 123216176) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol
PubChem CID123216176
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(C2CC=NC2)C=CCC1O
InChIInChI=1S/C11H15NO/c1-8-10(3-2-4-11(8)13)9-5-6-12-7-9/h2-3,6,9,11,13H,4-5,7H2,1H3
InChIKeyGVJAOLUVBNUZLR-UHFFFAOYSA-N
XLogP1.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Hydroxy-3-methylcyclohexa-1,5-dien-1-yl)methylidenecyanamide
CID 123530431
4-(Methyliminomethyl)cyclohexa-2,4-dien-1-ol
CID 123677955
(4E)-6-methylidene-3-(methyliminomethyl)octa-4,7-dien-2-ol
CID 123803446
2-(2-Hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol
CID 123912277
4-[1-(Methyliminomethyl)cyclopropyl]cyclohexa-2,4-dien-1-ol
CID 162219109
2-(Methyliminomethyl)cyclohexa-2,4-dien-1-ol
CID 140603916
1-[(3Z,5E,8Z)-7-methyl-1-azacycloundeca-3,5,8,11-tetraen-5-yl]ethanol
CID 144315640

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol (CID 123216176) is 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol is CC1=C(C2CC=NC2)C=CCC1O.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is GVJAOLUVBNUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-10(3-2-4-11(8)13)9-5-6-12-7-9/h2-3,6,9,11,13H,4-5,7H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol?
3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-3-yl)-2-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123216176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).