7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]

C11H13ClN2 — CID 115452175

IUPAC7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
SMILESClc1ccc2c(c1)NCC1(CC1)CN2
InChIInChI=1S/C11H13ClN2/c12-8-1-2-9-10(5-8)14-7-11(3-4-11)6-13-9/h1-2,5,13-14H,3-4,6-7H2
InChIKeySRAVIAQBRMKMCU-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.96
Rot. Bonds

About 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]

7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane] (PubChem CID 115452175) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
PubChem CID115452175
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
SMILESClc1ccc2c(c1)NCC1(CC1)CN2
InChIInChI=1S/C11H13ClN2/c12-8-1-2-9-10(5-8)14-7-11(3-4-11)6-13-9/h1-2,5,13-14H,3-4,6-7H2
InChIKeySRAVIAQBRMKMCU-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane] with MolForge

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Related Compounds

7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115434699
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115447294
7-iodospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452187
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452160
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cycloheptane]-4-one
CID 115444956
7-iodospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115447307
7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]
CID 131001610
6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097033
8-fluoro-7-iodospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452194
7-fluorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 115440802
7-bromospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 113310341
7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
CID 115097844

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]?
The IUPAC name of 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane] (CID 115452175) is 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane].
What is the SMILES notation for 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]?
The canonical SMILES for 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane] is Clc1ccc2c(c1)NCC1(CC1)CN2.
What is the InChIKey of 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]?
The InChIKey is SRAVIAQBRMKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-8-1-2-9-10(5-8)14-7-11(3-4-11)6-13-9/h1-2,5,13-14H,3-4,6-7H2.
What are the key properties of 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]?
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane] has a molecular weight of 208.69 g/mol, XLogP of 2.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane] is sourced from PubChem (CID 115452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).