(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone

C15H14N2O2 — CID 114455702

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1cccc(O)c1)CC2
InChIInChI=1S/C15H14N2O2/c16-13-6-2-3-10-7-8-17(14(10)13)15(19)11-4-1-5-12(18)9-11/h1-6,9,18H,7-8,16H2
InChIKeyILJNYZFJYHMIIG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.18
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone (PubChem CID 114455702) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
PubChem CID114455702
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1cccc(O)c1)CC2
InChIInChI=1S/C15H14N2O2/c16-13-6-2-3-10-7-8-17(14(10)13)15(19)11-4-1-5-12(18)9-11/h1-6,9,18H,7-8,16H2
InChIKeyILJNYZFJYHMIIG-UHFFFAOYSA-N
XLogP2.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 114455746
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone (CID 114455702) is (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone is Nc1cccc2c1N(C(=O)c1cccc(O)c1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is ILJNYZFJYHMIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-13-6-2-3-10-7-8-17(14(10)13)15(19)11-4-1-5-12(18)9-11/h1-6,9,18H,7-8,16H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 254.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 114455702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).