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

C12H14ClN — CID 115025622

IUPAC7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]
SMILESClc1ccc2c(c1)CCCNC21CC1
InChIInChI=1S/C12H14ClN/c13-10-3-4-11-9(8-10)2-1-7-14-12(11)5-6-12/h3-4,8,14H,1-2,5-7H2
InChIKeyKBSZCMMVROSYGN-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.86
Rot. Bonds

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

7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane] (PubChem CID 115025622) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane].

Molecular Properties

Compound Name7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]
PubChem CID115025622
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]
SMILESClc1ccc2c(c1)CCCNC21CC1
InChIInChI=1S/C12H14ClN/c13-10-3-4-11-9(8-10)2-1-7-14-12(11)5-6-12/h3-4,8,14H,1-2,5-7H2
InChIKeyKBSZCMMVROSYGN-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 138553902
6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 170992748
6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 117273958
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 105483573
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 161269898
methyl 6-chloro-1-cyano-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 139467780
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]?
The IUPAC name of 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane] (CID 115025622) is 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane].
What is the SMILES notation for 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]?
The canonical SMILES for 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane] is Clc1ccc2c(c1)CCCNC21CC1.
What is the InChIKey of 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]?
The InChIKey is KBSZCMMVROSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-10-3-4-11-9(8-10)2-1-7-14-12(11)5-6-12/h3-4,8,14H,1-2,5-7H2.
What are the key properties of 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]?
7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane] has a molecular weight of 207.70 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane] is sourced from PubChem (CID 115025622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).