2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol

C13H14N2O — CID 136683436

IUPAC2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol
SMILESCC1(C)C=CN=C1/C=N/c1ccccc1O
InChIInChI=1S/C13H14N2O/c1-13(2)7-8-14-12(13)9-15-10-5-3-4-6-11(10)16/h3-9,16H,1-2H3/b15-9+
InChIKeyVCONLFHFNATHHW-OQLLNIDSSA-N
MW214.27 g/mol
LogP3.09
Rot. Bonds2

About 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol

2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol (PubChem CID 136683436) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol.

Molecular Properties

Compound Name2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol
PubChem CID136683436
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol
SMILESCC1(C)C=CN=C1/C=N/c1ccccc1O
InChIInChI=1S/C13H14N2O/c1-13(2)7-8-14-12(13)9-15-10-5-3-4-6-11(10)16/h3-9,16H,1-2H3/b15-9+
InChIKeyVCONLFHFNATHHW-OQLLNIDSSA-N
XLogP3.09
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 135534570
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2-[[(E)-but-2-enylidene]amino]phenol
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2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol
CID 102341808
2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol
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2-[(4-phenylphenyl)methylideneamino]phenol
CID 59227908
2-[(2,6-dichlorophenyl)methylideneamino]phenol
CID 677290
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
2-(1,3-thiazol-4-ylmethylideneamino)phenol
CID 131236355
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol?
The IUPAC name of 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol (CID 136683436) is 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol.
What is the SMILES notation for 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol?
The canonical SMILES for 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol is CC1(C)C=CN=C1/C=N/c1ccccc1O.
What is the InChIKey of 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol?
The InChIKey is VCONLFHFNATHHW-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(2)7-8-14-12(13)9-15-10-5-3-4-6-11(10)16/h3-9,16H,1-2H3/b15-9+.
What are the key properties of 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol?
2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol has a molecular weight of 214.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylpyrrol-2-yl)methylideneamino]phenol is sourced from PubChem (CID 136683436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).