N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide

C10H19N3O — CID 166901365

IUPACN,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
SMILESCN1CCC2C(C1)CN2C(=O)N(C)C
InChIInChI=1S/C10H19N3O/c1-11(2)10(14)13-7-8-6-12(3)5-4-9(8)13/h8-9H,4-7H2,1-3H3
InChIKeyIATVUSNLHZJFHB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.30
Rot. Bonds

About N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide

N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 166901365) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
PubChem CID166901365
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
SMILESCN1CCC2C(C1)CN2C(=O)N(C)C
InChIInChI=1S/C10H19N3O/c1-11(2)10(14)13-7-8-6-12(3)5-4-9(8)13/h8-9H,4-7H2,1-3H3
InChIKeyIATVUSNLHZJFHB-UHFFFAOYSA-N
XLogP0.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide (CID 166901365) is N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide is CN1CCC2C(C1)CN2C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is IATVUSNLHZJFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11(2)10(14)13-7-8-6-12(3)5-4-9(8)13/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide?
N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 166901365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).