2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

C10H10N2O — CID 134590894

IUPAC2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCC(C)C1=c2ocnc2=CC=C=N1
InChIInChI=1S/C10H10N2O/c1-7(2)9-10-8(12-6-13-10)4-3-5-11-9/h3-4,6-7H,1-2H3
InChIKeyYRBSSDAJYWHOKQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.46
Rot. Bonds1

About 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (PubChem CID 134590894) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.

Molecular Properties

Compound Name2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
PubChem CID134590894
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCC(C)C1=c2ocnc2=CC=C=N1
InChIInChI=1S/C10H10N2O/c1-7(2)9-10-8(12-6-13-10)4-3-5-11-9/h3-4,6-7H,1-2H3
InChIKeyYRBSSDAJYWHOKQ-UHFFFAOYSA-N
XLogP0.46
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The IUPAC name of 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (CID 134590894) is 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.
What is the SMILES notation for 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The canonical SMILES for 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is CC(C)C1=c2ocnc2=CC=C=N1.
What is the InChIKey of 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The InChIKey is YRBSSDAJYWHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7(2)9-10-8(12-6-13-10)4-3-5-11-9/h3-4,6-7H,1-2H3.
What are the key properties of 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene has a molecular weight of 174.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is sourced from PubChem (CID 134590894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).