9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol

C12H12N2O — CID 143754978

IUPAC9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol
SMILESNc1cccc2c(O)cc3c(c12)CCN3
InChIInChI=1S/C12H12N2O/c13-9-3-1-2-8-11(15)6-10-7(12(8)9)4-5-14-10/h1-3,6,14-15H,4-5,13H2
InChIKeyQQTKBDQKNXHTGS-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.10
Rot. Bonds

About 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol

9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol (PubChem CID 143754978) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol.

Molecular Properties

Compound Name9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol
PubChem CID143754978
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol
SMILESNc1cccc2c(O)cc3c(c12)CCN3
InChIInChI=1S/C12H12N2O/c13-9-3-1-2-8-11(15)6-10-7(12(8)9)4-5-14-10/h1-3,6,14-15H,4-5,13H2
InChIKeyQQTKBDQKNXHTGS-UHFFFAOYSA-N
XLogP2.10
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754973
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CID 77431705
6-iodo-2,3-dihydro-1H-indol-4-ol
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6-fluoro-2,3-dihydro-1H-indol-4-ol
CID 83872654
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CID 117110506
5-amino-2,3-dihydro-1H-quinolin-4-one
CID 130045561
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CID 11139339
5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid
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CID 154338684

Frequently Asked Questions

What is the IUPAC name of 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol?
The IUPAC name of 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol (CID 143754978) is 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol.
What is the SMILES notation for 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol?
The canonical SMILES for 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol is Nc1cccc2c(O)cc3c(c12)CCN3.
What is the InChIKey of 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol?
The InChIKey is QQTKBDQKNXHTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-9-3-1-2-8-11(15)6-10-7(12(8)9)4-5-14-10/h1-3,6,14-15H,4-5,13H2.
What are the key properties of 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol?
9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol has a molecular weight of 200.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol is sourced from PubChem (CID 143754978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).