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

C12H14ClN — CID 170250564

IUPAC7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
SMILESClc1ccc2c(c1)C1(CCCN2)CC1
InChIInChI=1S/C12H14ClN/c13-9-2-3-11-10(8-9)12(5-6-12)4-1-7-14-11/h2-3,8,14H,1,4-7H2
InChIKeyFQNHZEGHLNZNNG-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.58
Rot. Bonds

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

7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane] (PubChem CID 170250564) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane].

Molecular Properties

Compound Name7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
PubChem CID170250564
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
SMILESClc1ccc2c(c1)C1(CCCN2)CC1
InChIInChI=1S/C12H14ClN/c13-9-2-3-11-10(8-9)12(5-6-12)4-1-7-14-11/h2-3,8,14H,1,4-7H2
InChIKeyFQNHZEGHLNZNNG-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]?
The IUPAC name of 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane] (CID 170250564) is 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane].
What is the SMILES notation for 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]?
The canonical SMILES for 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane] is Clc1ccc2c(c1)C1(CCCN2)CC1.
What is the InChIKey of 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]?
The InChIKey is FQNHZEGHLNZNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-9-2-3-11-10(8-9)12(5-6-12)4-1-7-14-11/h2-3,8,14H,1,4-7H2.
What are the key properties of 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]?
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane] has a molecular weight of 207.70 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane] is sourced from PubChem (CID 170250564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).