9-amino-1H-benzo[e][1,3]benzoxazol-2-one

C11H8N2O2 — CID 57163944

IUPAC9-amino-1H-benzo[e][1,3]benzoxazol-2-one
SMILESNc1cccc2ccc3oc(=O)[nH]c3c12
InChIInChI=1S/C11H8N2O2/c12-7-3-1-2-6-4-5-8-10(9(6)7)13-11(14)15-8/h1-5H,12H2,(H,13,14)
InChIKeyHHGRKSZGTFTFLV-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.86
Rot. Bonds

About 9-amino-1H-benzo[e][1,3]benzoxazol-2-one

9-amino-1H-benzo[e][1,3]benzoxazol-2-one (PubChem CID 57163944) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 9-amino-1H-benzo[e][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name9-amino-1H-benzo[e][1,3]benzoxazol-2-one
PubChem CID57163944
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name9-amino-1H-benzo[e][1,3]benzoxazol-2-one
SMILESNc1cccc2ccc3oc(=O)[nH]c3c12
InChIInChI=1S/C11H8N2O2/c12-7-3-1-2-6-4-5-8-10(9(6)7)13-11(14)15-8/h1-5H,12H2,(H,13,14)
InChIKeyHHGRKSZGTFTFLV-UHFFFAOYSA-N
XLogP1.86
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.86
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

1-aminobenzo[a]xanthen-12-one
CID 163931413
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
4-amino-1H-benzo[e][1,3]benzoxazol-2-one
CID 20524601
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947
ethane;naphthalene-1,8-diamine
CID 90905453
4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117284329
5-[(E)-2-(3-aminophenyl)ethenyl]-4-methyl-3H-1,3-benzoxazol-2-one
CID 166323730
4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117277918
4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
CID 117282170
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228

Frequently Asked Questions

What is the IUPAC name of 9-amino-1H-benzo[e][1,3]benzoxazol-2-one?
The IUPAC name of 9-amino-1H-benzo[e][1,3]benzoxazol-2-one (CID 57163944) is 9-amino-1H-benzo[e][1,3]benzoxazol-2-one.
What is the SMILES notation for 9-amino-1H-benzo[e][1,3]benzoxazol-2-one?
The canonical SMILES for 9-amino-1H-benzo[e][1,3]benzoxazol-2-one is Nc1cccc2ccc3oc(=O)[nH]c3c12.
What is the InChIKey of 9-amino-1H-benzo[e][1,3]benzoxazol-2-one?
The InChIKey is HHGRKSZGTFTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-7-3-1-2-6-4-5-8-10(9(6)7)13-11(14)15-8/h1-5H,12H2,(H,13,14).
What are the key properties of 9-amino-1H-benzo[e][1,3]benzoxazol-2-one?
9-amino-1H-benzo[e][1,3]benzoxazol-2-one has a molecular weight of 200.20 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1H-benzo[e][1,3]benzoxazol-2-one is sourced from PubChem (CID 57163944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).