2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile

C18H15N3O — CID 59425735

IUPAC2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(N)cc2)n(C2CC2)c2cc(O)ccc12
InChIInChI=1S/C18H15N3O/c19-10-16-15-8-7-14(22)9-17(15)21(13-5-6-13)18(16)11-1-3-12(20)4-2-11/h1-4,7-9,13,22H,5-6,20H2
InChIKeyMNOUAVLFYGETMF-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.80
Rot. Bonds2

About 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile

2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile (PubChem CID 59425735) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile
PubChem CID59425735
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(N)cc2)n(C2CC2)c2cc(O)ccc12
InChIInChI=1S/C18H15N3O/c19-10-16-15-8-7-14(22)9-17(15)21(13-5-6-13)18(16)11-1-3-12(20)4-2-11/h1-4,7-9,13,22H,5-6,20H2
InChIKeyMNOUAVLFYGETMF-UHFFFAOYSA-N
XLogP3.80
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile?
The IUPAC name of 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile (CID 59425735) is 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile.
What is the SMILES notation for 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile?
The canonical SMILES for 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile is N#Cc1c(-c2ccc(N)cc2)n(C2CC2)c2cc(O)ccc12.
What is the InChIKey of 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile?
The InChIKey is MNOUAVLFYGETMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-10-16-15-8-7-14(22)9-17(15)21(13-5-6-13)18(16)11-1-3-12(20)4-2-11/h1-4,7-9,13,22H,5-6,20H2.
What are the key properties of 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile?
2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile is sourced from PubChem (CID 59425735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).