CID 131862894

C8H9N2 — CID 131862894

IUPAC—
SMILESCc1ccnc2c1CC[N]2
InChIInChI=1S/C8H9N2/c1-6-2-4-9-8-7(6)3-5-10-8/h2,4H,3,5H2,1H3
InChIKeyPKVJMWXEZXZBCY-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.18
Rot. Bonds

About CID 131862894

CID 131862894 (PubChem CID 131862894) has the molecular formula C8H9N2 and a molecular weight of 133.17 g/mol.

Molecular Properties

Compound NameCID 131862894
PubChem CID131862894
Molecular FormulaC8H9N2
Molecular Weight133.17 g/mol
Exact Mass133.08
IUPAC Name—
SMILESCc1ccnc2c1CC[N]2
InChIInChI=1S/C8H9N2/c1-6-2-4-9-8-7(6)3-5-10-8/h2,4H,3,5H2,1H3
InChIKeyPKVJMWXEZXZBCY-UHFFFAOYSA-N
XLogP1.18
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-5H-cyclohepta[b]pyridine
CID 143466582
(8R)-4-methyl-5,6,7,8-tetrahydroquinolin-8-ol
CID 175958584
(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile
CID 175958582
4-methyl-5H-indeno[1,2-b][1,8]naphthyridine
CID 154188379
7-methyl-2,3-dihydrofuro[3,2-b]pyridine
CID 89340050
4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265834
4-(5,6,7,8-tetrahydroquinolin-4-yl)-5,6,7,8-tetrahydroquinoline
CID 141320772
7-methyl-2,3-dihydrothieno[3,2-b]pyridine
CID 59572692
4-methyl-N,N-dipropyl-5,6,7,8-tetrahydroquinolin-7-amine
CID 14835953
4-methyl-5,6,7,8-tetrahydroquinoline;2,4,6-trinitrophenol
CID 71401087
4,5,6,7-tetramethyl-1,10-phenanthroline
CID 67115643
3-chloro-2,4-dimethylpyridine
CID 12508368

Frequently Asked Questions

What is the IUPAC name of CID 131862894?
The IUPAC name of CID 131862894 (CID 131862894) is not available.
What is the SMILES notation for CID 131862894?
The canonical SMILES for CID 131862894 is Cc1ccnc2c1CC[N]2.
What is the InChIKey of CID 131862894?
The InChIKey is PKVJMWXEZXZBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2/c1-6-2-4-9-8-7(6)3-5-10-8/h2,4H,3,5H2,1H3.
What are the key properties of CID 131862894?
CID 131862894 has a molecular weight of 133.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131862894 is sourced from PubChem (CID 131862894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).