1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid

C15H25NO4 — CID 167523146

IUPAC1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid
SMILESCC1(OCCC(=O)N2CC3C(C2)C3(C)C)CC1.O=CO
InChIInChI=1S/C14H23NO2.CH2O2/c1-13(2)10-8-15(9-11(10)13)12(16)4-7-17-14(3)5-6-14;2-1-3/h10-11H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyQLZNXALSGXBWMW-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.76
Rot. Bonds4

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid (PubChem CID 167523146) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid
PubChem CID167523146
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid
SMILESCC1(OCCC(=O)N2CC3C(C2)C3(C)C)CC1.O=CO
InChIInChI=1S/C14H23NO2.CH2O2/c1-13(2)10-8-15(9-11(10)13)12(16)4-7-17-14(3)5-6-14;2-1-3/h10-11H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyQLZNXALSGXBWMW-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid?
The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid (CID 167523146) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid.
What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid?
The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid is CC1(OCCC(=O)N2CC3C(C2)C3(C)C)CC1.O=CO.
What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid?
The InChIKey is QLZNXALSGXBWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.CH2O2/c1-13(2)10-8-15(9-11(10)13)12(16)4-7-17-14(3)5-6-14;2-1-3/h10-11H,4-9H2,1-3H3;1H,(H,2,3).
What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid?
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid has a molecular weight of 283.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1-methylcyclopropyl)oxypropan-1-one;formic acid is sourced from PubChem (CID 167523146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).