potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide

C10H13KN2 — CID 143785610

IUPACpotassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide
SMILESCC1C=CC2=C(CC[N-]C2)N=C1.[K+]
InChIInChI=1S/C10H13N2.K/c1-8-2-3-9-7-11-5-4-10(9)12-6-8;/h2-3,6,8H,4-5,7H2,1H3;/q-1;+1
InChIKeyIHQVNLKTBPHPNR-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.70
Rot. Bonds

About potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide

potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide (PubChem CID 143785610) has the molecular formula C10H13KN2 and a molecular weight of 200.33 g/mol. Its IUPAC name is potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide.

Molecular Properties

Compound Namepotassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide
PubChem CID143785610
Molecular FormulaC10H13KN2
Molecular Weight200.33 g/mol
Exact Mass200.07
IUPAC Namepotassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide
SMILESCC1C=CC2=C(CC[N-]C2)N=C1.[K+]
InChIInChI=1S/C10H13N2.K/c1-8-2-3-9-7-11-5-4-10(9)12-6-8;/h2-3,6,8H,4-5,7H2,1H3;/q-1;+1
InChIKeyIHQVNLKTBPHPNR-UHFFFAOYSA-N
XLogP-0.70
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide?
The IUPAC name of potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide (CID 143785610) is potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide.
What is the SMILES notation for potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide?
The canonical SMILES for potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide is CC1C=CC2=C(CC[N-]C2)N=C1.[K+].
What is the InChIKey of potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide?
The InChIKey is IHQVNLKTBPHPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2.K/c1-8-2-3-9-7-11-5-4-10(9)12-6-8;/h2-3,6,8H,4-5,7H2,1H3;/q-1;+1.
What are the key properties of potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide?
potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide has a molecular weight of 200.33 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methyl-3,6,8,9-tetrahydropyrido[4,3-b]azepin-7-ide is sourced from PubChem (CID 143785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).