4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol

C12H15NO — CID 3251128

IUPAC4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol
SMILESCC1(C)CC(O)N=C1c1ccccc1
InChIInChI=1S/C12H15NO/c1-12(2)8-10(14)13-11(12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChIKeyODBSLZVFGWJRFE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.22
Rot. Bonds1

About 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol

4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol (PubChem CID 3251128) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol
PubChem CID3251128
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol
SMILESCC1(C)CC(O)N=C1c1ccccc1
InChIInChI=1S/C12H15NO/c1-12(2)8-10(14)13-11(12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChIKeyODBSLZVFGWJRFE-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol?
The IUPAC name of 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol (CID 3251128) is 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol.
What is the SMILES notation for 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol?
The canonical SMILES for 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol is CC1(C)CC(O)N=C1c1ccccc1.
What is the InChIKey of 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol?
The InChIKey is ODBSLZVFGWJRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)8-10(14)13-11(12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol?
4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol has a molecular weight of 189.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-phenyl-2,3-dihydropyrrol-2-ol is sourced from PubChem (CID 3251128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).