spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]

C11H15N3 — CID 115447300

IUPACspiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]
SMILESc1cc2c(cn1)NCC1(CCC1)CN2
InChIInChI=1S/C11H15N3/c1-3-11(4-1)7-13-9-2-5-12-6-10(9)14-8-11/h2,5-6,13-14H,1,3-4,7-8H2
InChIKeyHYQBIMRPENTMFK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.09
Rot. Bonds

About spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]

spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane] (PubChem CID 115447300) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane].

Molecular Properties

Compound Namespiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]
PubChem CID115447300
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Namespiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]
SMILESc1cc2c(cn1)NCC1(CCC1)CN2
InChIInChI=1S/C11H15N3/c1-3-11(4-1)7-13-9-2-5-12-6-10(9)14-8-11/h2,5-6,13-14H,1,3-4,7-8H2
InChIKeyHYQBIMRPENTMFK-UHFFFAOYSA-N
XLogP2.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane] with MolForge

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Related Compounds

spiro[2,5-dihydro-1H-pyrido[3,4-b][1,4]diazepine-3,1'-cycloheptane]-4-one
CID 113310926
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-7-amine
CID 115099979
7-iodospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115447307
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115447294
3,7-diazabicyclo[4.1.0]hepta-1(6),2,4-triene
CID 139787035
3,3-difluoro-2,5-dihydro-1H-pyrido[3,4-b][1,4]diazepin-4-one
CID 130600772
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115434699
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]
CID 115099212
7-iodospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452187
2-methylidene-1,3-dihydropyrrolo[2,3-c]pyridine
CID 58470524

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]?
The IUPAC name of spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane] (CID 115447300) is spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane].
What is the SMILES notation for spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]?
The canonical SMILES for spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane] is c1cc2c(cn1)NCC1(CCC1)CN2.
What is the InChIKey of spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]?
The InChIKey is HYQBIMRPENTMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-11(4-1)7-13-9-2-5-12-6-10(9)14-8-11/h2,5-6,13-14H,1,3-4,7-8H2.
What are the key properties of spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane]?
spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane] has a molecular weight of 189.26 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,4,5-tetrahydropyrido[3,4-b][1,4]diazepine-3,1'-cyclobutane] is sourced from PubChem (CID 115447300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).