methane;propane;9H-pyrido[3,2-b]azepine

C13H20N2 — CID 143466256

IUPACmethane;propane;9H-pyrido[3,2-b]azepine
SMILESC.C1=CCc2ncccc2N=C1.CCC
InChIInChI=1S/C9H8N2.C3H8.CH4/c1-2-6-10-9-5-3-7-11-8(9)4-1;1-3-2;/h1-3,5-7H,4H2;3H2,1-2H3;1H4
InChIKeySRSSTISEACQGSJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.95
Rot. Bonds

About methane;propane;9H-pyrido[3,2-b]azepine

methane;propane;9H-pyrido[3,2-b]azepine (PubChem CID 143466256) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is methane;propane;9H-pyrido[3,2-b]azepine.

Molecular Properties

Compound Namemethane;propane;9H-pyrido[3,2-b]azepine
PubChem CID143466256
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Namemethane;propane;9H-pyrido[3,2-b]azepine
SMILESC.C1=CCc2ncccc2N=C1.CCC
InChIInChI=1S/C9H8N2.C3H8.CH4/c1-2-6-10-9-5-3-7-11-8(9)4-1;1-3-2;/h1-3,5-7H,4H2;3H2,1-2H3;1H4
InChIKeySRSSTISEACQGSJ-UHFFFAOYSA-N
XLogP3.95
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;propane;9H-pyrido[3,2-b]azepine?
The IUPAC name of methane;propane;9H-pyrido[3,2-b]azepine (CID 143466256) is methane;propane;9H-pyrido[3,2-b]azepine.
What is the SMILES notation for methane;propane;9H-pyrido[3,2-b]azepine?
The canonical SMILES for methane;propane;9H-pyrido[3,2-b]azepine is C.C1=CCc2ncccc2N=C1.CCC.
What is the InChIKey of methane;propane;9H-pyrido[3,2-b]azepine?
The InChIKey is SRSSTISEACQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C3H8.CH4/c1-2-6-10-9-5-3-7-11-8(9)4-1;1-3-2;/h1-3,5-7H,4H2;3H2,1-2H3;1H4.
What are the key properties of methane;propane;9H-pyrido[3,2-b]azepine?
methane;propane;9H-pyrido[3,2-b]azepine has a molecular weight of 204.32 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propane;9H-pyrido[3,2-b]azepine is sourced from PubChem (CID 143466256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).