7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]

C11H15N3O — CID 115452174

IUPAC7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]
SMILESCOc1ccc2c(n1)NCC1(CC1)CN2
InChIInChI=1S/C11H15N3O/c1-15-9-3-2-8-10(14-9)13-7-11(4-5-11)6-12-8/h2-3,12H,4-7H2,1H3,(H,13,14)
InChIKeyVCUFCKFHSXUGOK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds1

About 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]

7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane] (PubChem CID 115452174) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]
PubChem CID115452174
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]
SMILESCOc1ccc2c(n1)NCC1(CC1)CN2
InChIInChI=1S/C11H15N3O/c1-15-9-3-2-8-10(14-9)13-7-11(4-5-11)6-12-8/h2-3,12H,4-7H2,1H3,(H,13,14)
InChIKeyVCUFCKFHSXUGOK-UHFFFAOYSA-N
XLogP1.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane] with MolForge

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Related Compounds

7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 115323583
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 82763731
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875
7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
CID 115323681
4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
CID 115323586
8-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099661
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
1-(3-amino-6-methoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 115320981
3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
CID 53414723
4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]?
The IUPAC name of 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane] (CID 115452174) is 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane].
What is the SMILES notation for 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]?
The canonical SMILES for 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane] is COc1ccc2c(n1)NCC1(CC1)CN2.
What is the InChIKey of 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]?
The InChIKey is VCUFCKFHSXUGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-9-3-2-8-10(14-9)13-7-11(4-5-11)6-12-8/h2-3,12H,4-7H2,1H3,(H,13,14).
What are the key properties of 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]?
7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane] has a molecular weight of 205.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane] is sourced from PubChem (CID 115452174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).