6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one

C9H16N2O2 — CID 115009865

IUPAC6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOCCCN1CC2C(N)C2C1=O
InChIInChI=1S/C9H16N2O2/c1-13-4-2-3-11-5-6-7(8(6)10)9(11)12/h6-8H,2-5,10H2,1H3
InChIKeyHPWQUSHWFRNCHB-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.56
Rot. Bonds4

About 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one

6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115009865) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115009865
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOCCCN1CC2C(N)C2C1=O
InChIInChI=1S/C9H16N2O2/c1-13-4-2-3-11-5-6-7(8(6)10)9(11)12/h6-8H,2-5,10H2,1H3
InChIKeyHPWQUSHWFRNCHB-UHFFFAOYSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 115009865) is 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one is COCCCN1CC2C(N)C2C1=O.
What is the InChIKey of 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is HPWQUSHWFRNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-4-2-3-11-5-6-7(8(6)10)9(11)12/h6-8H,2-5,10H2,1H3.
What are the key properties of 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one?
6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115009865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).