5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol

C15H14N2O — CID 62327867

IUPAC5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCc3ccc[nH]3)cccc12
InChIInChI=1S/C15H14N2O/c18-15-8-2-5-12-13(15)6-1-7-14(12)17-10-11-4-3-9-16-11/h1-9,16-18H,10H2
InChIKeyQKBOJCVEBUZXRL-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.49
Rot. Bonds3

About 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol

5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol (PubChem CID 62327867) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol
PubChem CID62327867
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCc3ccc[nH]3)cccc12
InChIInChI=1S/C15H14N2O/c18-15-8-2-5-12-13(15)6-1-7-14(12)17-10-11-4-3-9-16-11/h1-9,16-18H,10H2
InChIKeyQKBOJCVEBUZXRL-UHFFFAOYSA-N
XLogP3.49
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol?
The IUPAC name of 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol (CID 62327867) is 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol?
The canonical SMILES for 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol is Oc1cccc2c(NCc3ccc[nH]3)cccc12.
What is the InChIKey of 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol?
The InChIKey is QKBOJCVEBUZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15-8-2-5-12-13(15)6-1-7-14(12)17-10-11-4-3-9-16-11/h1-9,16-18H,10H2.
What are the key properties of 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol?
5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol has a molecular weight of 238.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol is sourced from PubChem (CID 62327867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).