2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol

C12H15NO — CID 10035409

IUPAC2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol
SMILESCC1(C)CC(O)(c2ccccc2)C=N1
InChIInChI=1S/C12H15NO/c1-11(2)8-12(14,9-13-11)10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3
InChIKeyMKAGSYPANWBXKJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.13
Rot. Bonds1

About 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol

2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol (PubChem CID 10035409) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol
PubChem CID10035409
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol
SMILESCC1(C)CC(O)(c2ccccc2)C=N1
InChIInChI=1S/C12H15NO/c1-11(2)8-12(14,9-13-11)10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3
InChIKeyMKAGSYPANWBXKJ-UHFFFAOYSA-N
XLogP2.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzhydrol, alpha-(2-(isopropylideneamino)-1-methylethyl)-
CID 210710
1,1-Diphenyl-2-methyl-3-(1-cyclopropylethylidene)aminopropanol
CID 3060419
(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol
CID 54608137
3-(4-fluorophenyl)-2H-pyridin-3-ol
CID 67737692
(3R)-1-(dimethylamino)-3-phenylpentan-3-ol
CID 92170115
Trimethyl-4-phenyl-4-pyridinol
CID 129661301
1-Methyl-1-phenyl-3,3-dimethyl-3-dimethylamino-1-propanol
CID 129878828
1-[2-[(E)-(dimethylhydrazinylidene)methyl]cyclopenten-1-yl]-1-phenylethanol
CID 134867566
[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol
CID 134965207

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol?
The IUPAC name of 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol (CID 10035409) is 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol?
The canonical SMILES for 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol is CC1(C)CC(O)(c2ccccc2)C=N1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol?
The InChIKey is MKAGSYPANWBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-11(2)8-12(14,9-13-11)10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol?
2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol has a molecular weight of 189.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-3H-pyrrol-4-ol is sourced from PubChem (CID 10035409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).