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

C12H15NO — CID 115017855

IUPACspiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
SMILESOc1ccc2c(c1)CC1(CC1)NCC2
InChIInChI=1S/C12H15NO/c14-11-2-1-9-3-6-13-12(4-5-12)8-10(9)7-11/h1-2,7,13-14H,3-6,8H2
InChIKeyFFJUAZXXHNCNRE-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.61
Rot. Bonds

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

spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol (PubChem CID 115017855) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol.

Molecular Properties

Compound Namespiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
PubChem CID115017855
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namespiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
SMILESOc1ccc2c(c1)CC1(CC1)NCC2
InChIInChI=1S/C12H15NO/c14-11-2-1-9-3-6-13-12(4-5-12)8-10(9)7-11/h1-2,7,13-14H,3-6,8H2
InChIKeyFFJUAZXXHNCNRE-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[7,8-dihydro-5H-naphthalene-6,2'-piperidine]-2-ol;hydrochloride
CID 23361125
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol
CID 50915885
2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol
CID 105447110
5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
CID 168876491
(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid
CID 18935215
1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
CID 50916057
dihydroxy-[4-(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)phenyl]azanium
CID 163152372
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532
spiro[1,3-dihydroindene-2,6'-7,8-dihydro-5H-naphthalene]-2'-ol
CID 91293729
3,4-dihydro-2H-1,2-benzoxazin-6-ol
CID 66693230
6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
CID 115018593

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol?
The IUPAC name of spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol (CID 115017855) is spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol.
What is the SMILES notation for spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol?
The canonical SMILES for spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol is Oc1ccc2c(c1)CC1(CC1)NCC2.
What is the InChIKey of spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol?
The InChIKey is FFJUAZXXHNCNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-11-2-1-9-3-6-13-12(4-5-12)8-10(9)7-11/h1-2,7,13-14H,3-6,8H2.
What are the key properties of spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol?
spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol has a molecular weight of 189.26 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol is sourced from PubChem (CID 115017855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).