4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene

C10H13N — CID 130361091

IUPAC4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene
SMILESCC1(C)C=CC2=C(CC2)N=C1
InChIInChI=1S/C10H13N/c1-10(2)6-5-8-3-4-9(8)11-7-10/h5-7H,3-4H2,1-2H3
InChIKeyMMRFCHWRTXCWFW-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.70
Rot. Bonds

About 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene

4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene (PubChem CID 130361091) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene.

Molecular Properties

Compound Name4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene
PubChem CID130361091
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene
SMILESCC1(C)C=CC2=C(CC2)N=C1
InChIInChI=1S/C10H13N/c1-10(2)6-5-8-3-4-9(8)11-7-10/h5-7H,3-4H2,1-2H3
InChIKeyMMRFCHWRTXCWFW-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene?
The IUPAC name of 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene (CID 130361091) is 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene.
What is the SMILES notation for 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene?
The canonical SMILES for 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene is CC1(C)C=CC2=C(CC2)N=C1.
What is the InChIKey of 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene?
The InChIKey is MMRFCHWRTXCWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10(2)6-5-8-3-4-9(8)11-7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene?
4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene has a molecular weight of 147.22 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-azabicyclo[5.2.0]nona-1(7),2,5-triene is sourced from PubChem (CID 130361091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).