4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene

C10H7N — CID 45079891

IUPAC4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene
SMILESc1cc2c3ccnc(c3c1)C2
InChIInChI=1S/C10H7N/c1-2-7-6-10-9(3-1)8(7)4-5-11-10/h1-5H,6H2
InChIKeyKDXXZIJQXTWOLF-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.14
Rot. Bonds

About 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene

4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene (PubChem CID 45079891) has the molecular formula C10H7N and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene.

Molecular Properties

Compound Name4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene
PubChem CID45079891
Molecular FormulaC10H7N
Molecular Weight141.17 g/mol
Exact Mass141.06
IUPAC Name4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene
SMILESc1cc2c3ccnc(c3c1)C2
InChIInChI=1S/C10H7N/c1-2-7-6-10-9(3-1)8(7)4-5-11-10/h1-5H,6H2
InChIKeyKDXXZIJQXTWOLF-UHFFFAOYSA-N
XLogP2.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 459494
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
2-(2-Phenylethyl)pyridine
CID 75028
2-(1-Phenylethenyl)pyridine
CID 139919
5-Phenyl-2-propylpyridine
CID 529355
(3-Pyridylmethylene)indane 1a
CID 6539759
3-[(1Z)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine
CID 6539760
3-{[(1E)-4-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539775
(3-Pyridylmethylene)indane 36a
CID 6539817
3-(1H-Inden-2-yl)pyridine
CID 6540046
2-Methyl-5-phenylpyridine
CID 76744

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene?
The IUPAC name of 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene (CID 45079891) is 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene.
What is the SMILES notation for 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene?
The canonical SMILES for 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene is c1cc2c3ccnc(c3c1)C2.
What is the InChIKey of 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene?
The InChIKey is KDXXZIJQXTWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N/c1-2-7-6-10-9(3-1)8(7)4-5-11-10/h1-5H,6H2.
What are the key properties of 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene?
4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene has a molecular weight of 141.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene is sourced from PubChem (CID 45079891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).