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

C12H15NO — CID 14638033

IUPAC3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol
SMILESCC1(C)CC(c2ccccc2)=NC1O
InChIInChI=1S/C12H15NO/c1-12(2)8-10(13-11(12)14)9-6-4-3-5-7-9/h3-7,11,14H,8H2,1-2H3
InChIKeyRLPKCTLHFNQBKU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.22
Rot. Bonds1

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

3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol (PubChem CID 14638033) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol
PubChem CID14638033
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol
SMILESCC1(C)CC(c2ccccc2)=NC1O
InChIInChI=1S/C12H15NO/c1-12(2)8-10(13-11(12)14)9-6-4-3-5-7-9/h3-7,11,14H,8H2,1-2H3
InChIKeyRLPKCTLHFNQBKU-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 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol?
The IUPAC name of 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol (CID 14638033) is 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol.
What is the SMILES notation for 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol?
The canonical SMILES for 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol is CC1(C)CC(c2ccccc2)=NC1O.
What is the InChIKey of 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol?
The InChIKey is RLPKCTLHFNQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)8-10(13-11(12)14)9-6-4-3-5-7-9/h3-7,11,14H,8H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol?
3,3-dimethyl-5-phenyl-2,4-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 3,3-dimethyl-5-phenyl-2,4-dihydropyrrol-2-ol is sourced from PubChem (CID 14638033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).