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

C11H13ClN2 — CID 131001610

IUPAC7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]
SMILESClc1ccc2c(c1)NCCC1(CC1)N2
InChIInChI=1S/C11H13ClN2/c12-8-1-2-9-10(7-8)13-6-5-11(14-9)3-4-11/h1-2,7,13-14H,3-6H2
InChIKeyBWIUOJICKNMARW-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.10
Rot. Bonds

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

7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane] (PubChem CID 131001610) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane].

Molecular Properties

Compound Name7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]
PubChem CID131001610
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]
SMILESClc1ccc2c(c1)NCCC1(CC1)N2
InChIInChI=1S/C11H13ClN2/c12-8-1-2-9-10(7-8)13-6-5-11(14-9)3-4-11/h1-2,7,13-14H,3-6H2
InChIKeyBWIUOJICKNMARW-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

spiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclopropane]
CID 131150820
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
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-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
CID 170250564
7,8-dimethoxyspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
CID 83002006
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,3'-oxolane]
CID 170250522
(5S)-7-chloro-4,4-difluoro-5-(hydroxymethyl)-2,3-dihydro-1H-1-benzazepin-5-ol;hydrochloride
CID 137373477
4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]
CID 83515174
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452160
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopentane]
CID 113325806

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]?
The IUPAC name of 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane] (CID 131001610) is 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane].
What is the SMILES notation for 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]?
The canonical SMILES for 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane] is Clc1ccc2c(c1)NCCC1(CC1)N2.
What is the InChIKey of 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]?
The InChIKey is BWIUOJICKNMARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-8-1-2-9-10(7-8)13-6-5-11(14-9)3-4-11/h1-2,7,13-14H,3-6H2.
What are the key properties of 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]?
7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane] has a molecular weight of 208.69 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane] is sourced from PubChem (CID 131001610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).