[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium

C15H14N3O+ — CID 1507

IUPAC[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)cc2c1
InChIInChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
InChIKeyJPGNPKIYCTXJPG-UHFFFAOYSA-O
MW252.30 g/mol
LogP1.00
Rot. Bonds2

About [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium

[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium (PubChem CID 1507) has the molecular formula C15H14N3O+ and a molecular weight of 252.30 g/mol. Its IUPAC name is [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
PubChem CID1507
Molecular FormulaC15H14N3O+
Molecular Weight252.30 g/mol
Exact Mass252.11
IUPAC Name[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)cc2c1
InChIInChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
InChIKeyJPGNPKIYCTXJPG-UHFFFAOYSA-O
XLogP1.00
TPSA87.63 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium?
The IUPAC name of [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium (CID 1507) is [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium.
What is the SMILES notation for [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium?
The canonical SMILES for [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium is NC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)cc2c1.
What is the InChIKey of [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium?
The InChIKey is JPGNPKIYCTXJPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1.
What are the key properties of [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium?
[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium has a molecular weight of 252.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium is sourced from PubChem (CID 1507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).