4-[amino(1H-pyrrol-2-yl)methyl]phenol

C11H12N2O — CID 16641599

IUPAC4-[amino(1H-pyrrol-2-yl)methyl]phenol
SMILESNC(c1ccc(O)cc1)c1ccc[nH]1
InChIInChI=1S/C11H12N2O/c12-11(10-2-1-7-13-10)8-3-5-9(14)6-4-8/h1-7,11,13-14H,12H2
InChIKeyFHHGGOFVHDHZFD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.77
Rot. Bonds2

About 4-[amino(1H-pyrrol-2-yl)methyl]phenol

4-[amino(1H-pyrrol-2-yl)methyl]phenol (PubChem CID 16641599) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[amino(1H-pyrrol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[amino(1H-pyrrol-2-yl)methyl]phenol
PubChem CID16641599
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-[amino(1H-pyrrol-2-yl)methyl]phenol
SMILESNC(c1ccc(O)cc1)c1ccc[nH]1
InChIInChI=1S/C11H12N2O/c12-11(10-2-1-7-13-10)8-3-5-9(14)6-4-8/h1-7,11,13-14H,12H2
InChIKeyFHHGGOFVHDHZFD-UHFFFAOYSA-N
XLogP1.77
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(1H-pyrrol-2-yl)methyl]phenol?
The IUPAC name of 4-[amino(1H-pyrrol-2-yl)methyl]phenol (CID 16641599) is 4-[amino(1H-pyrrol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[amino(1H-pyrrol-2-yl)methyl]phenol?
The canonical SMILES for 4-[amino(1H-pyrrol-2-yl)methyl]phenol is NC(c1ccc(O)cc1)c1ccc[nH]1.
What is the InChIKey of 4-[amino(1H-pyrrol-2-yl)methyl]phenol?
The InChIKey is FHHGGOFVHDHZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(10-2-1-7-13-10)8-3-5-9(14)6-4-8/h1-7,11,13-14H,12H2.
What are the key properties of 4-[amino(1H-pyrrol-2-yl)methyl]phenol?
4-[amino(1H-pyrrol-2-yl)methyl]phenol has a molecular weight of 188.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(1H-pyrrol-2-yl)methyl]phenol is sourced from PubChem (CID 16641599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).