3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene

C14H15NO — CID 166651091

IUPAC3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene
SMILESCN1C(OC2CC2)=CC=C=C2C=CC=CC21
InChIInChI=1S/C14H15NO/c1-15-13-7-3-2-5-11(13)6-4-8-14(15)16-12-9-10-12/h2-5,7-8,12-13H,9-10H2,1H3
InChIKeyHIJYZMRTLSANPH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.53
Rot. Bonds2

About 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene

3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene (PubChem CID 166651091) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene.

Molecular Properties

Compound Name3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene
PubChem CID166651091
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene
SMILESCN1C(OC2CC2)=CC=C=C2C=CC=CC21
InChIInChI=1S/C14H15NO/c1-15-13-7-3-2-5-11(13)6-4-8-14(15)16-12-9-10-12/h2-5,7-8,12-13H,9-10H2,1H3
InChIKeyHIJYZMRTLSANPH-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene?
The IUPAC name of 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene (CID 166651091) is 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene.
What is the SMILES notation for 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene?
The canonical SMILES for 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene is CN1C(OC2CC2)=CC=C=C2C=CC=CC21.
What is the InChIKey of 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene?
The InChIKey is HIJYZMRTLSANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-13-7-3-2-5-11(13)6-4-8-14(15)16-12-9-10-12/h2-5,7-8,12-13H,9-10H2,1H3.
What are the key properties of 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene?
3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene has a molecular weight of 213.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene is sourced from PubChem (CID 166651091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).