N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide

C10H17NO2 — CID 165478603

IUPACN-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide
SMILESCON(C)C(=O)C1CC2CCCC21
InChIInChI=1S/C10H17NO2/c1-11(13-2)10(12)9-6-7-4-3-5-8(7)9/h7-9H,3-6H2,1-2H3
InChIKeyPJGSBGUGPHLPRT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.44
Rot. Bonds2

About N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide

N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 165478603) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide
PubChem CID165478603
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide
SMILESCON(C)C(=O)C1CC2CCCC21
InChIInChI=1S/C10H17NO2/c1-11(13-2)10(12)9-6-7-4-3-5-8(7)9/h7-9H,3-6H2,1-2H3
InChIKeyPJGSBGUGPHLPRT-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide (CID 165478603) is N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide is CON(C)C(=O)C1CC2CCCC21.
What is the InChIKey of N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is PJGSBGUGPHLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11(13-2)10(12)9-6-7-4-3-5-8(7)9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide?
N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylbicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 165478603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).