7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one

C9H17N3O2 — CID 166456003

IUPAC7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one
SMILESCNON1C(=O)CC2CCCCC21N
InChIInChI=1S/C9H17N3O2/c1-11-14-12-8(13)6-7-4-2-3-5-9(7,12)10/h7,11H,2-6,10H2,1H3
InChIKeyDAPGIMBAEHASKO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.13
Rot. Bonds2

About 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one

7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one (PubChem CID 166456003) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one.

Molecular Properties

Compound Name7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one
PubChem CID166456003
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one
SMILESCNON1C(=O)CC2CCCCC21N
InChIInChI=1S/C9H17N3O2/c1-11-14-12-8(13)6-7-4-2-3-5-9(7,12)10/h7,11H,2-6,10H2,1H3
InChIKeyDAPGIMBAEHASKO-UHFFFAOYSA-N
XLogP0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
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tert-butyl 1-cyclooctyl-2-oxocyclooctane-1-carboxylate
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CID 135038985
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione
CID 45276018
1-cyclooctylcyclooctan-1-amine
CID 19973273
(1S,2R,13S)-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-6-ene-4,11-dione
CID 11777432
(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960
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Frequently Asked Questions

What is the IUPAC name of 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one?
The IUPAC name of 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one (CID 166456003) is 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one.
What is the SMILES notation for 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one?
The canonical SMILES for 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one is CNON1C(=O)CC2CCCCC21N.
What is the InChIKey of 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one?
The InChIKey is DAPGIMBAEHASKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11-14-12-8(13)6-7-4-2-3-5-9(7,12)10/h7,11H,2-6,10H2,1H3.
What are the key properties of 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one?
7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one is sourced from PubChem (CID 166456003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).