spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol

C16H21NO — CID 142106754

IUPACspiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol
SMILESOCN1Cc2ccccc2CC2(C=CCCC2)C1
InChIInChI=1S/C16H21NO/c18-13-17-11-15-7-3-2-6-14(15)10-16(12-17)8-4-1-5-9-16/h2-4,6-8,18H,1,5,9-13H2
InChIKeyQCKDKFIVWVWUBW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.72
Rot. Bonds1

About spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol

spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol (PubChem CID 142106754) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol.

Molecular Properties

Compound Namespiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol
PubChem CID142106754
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namespiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol
SMILESOCN1Cc2ccccc2CC2(C=CCCC2)C1
InChIInChI=1S/C16H21NO/c18-13-17-11-15-7-3-2-6-14(15)10-16(12-17)8-4-1-5-9-16/h2-4,6-8,18H,1,5,9-13H2
InChIKeyQCKDKFIVWVWUBW-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-carbonyl)benzoate
CID 23598622
2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole
CID 175938518
spiro[3,5-dihydro-1H-1-benzazepine-4,3'-cyclohexene]-2-one;spiro[3,5-dihydro-2H-2-benzazepine-4,3'-cyclohexene]-1-one
CID 160800258
1'-(2-hydroxyethyl)-2-methylspiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 97409691
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)propan-1-one
CID 155900592
spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]
CID 91133657
[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
CID 55051740
4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine
CID 122657652
(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene
CID 134946135
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
CID 134790585
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
CID 134788273

Frequently Asked Questions

What is the IUPAC name of spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol?
The IUPAC name of spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol (CID 142106754) is spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol.
What is the SMILES notation for spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol?
The canonical SMILES for spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol is OCN1Cc2ccccc2CC2(C=CCCC2)C1.
What is the InChIKey of spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol?
The InChIKey is QCKDKFIVWVWUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-13-17-11-15-7-3-2-6-14(15)10-16(12-17)8-4-1-5-9-16/h2-4,6-8,18H,1,5,9-13H2.
What are the key properties of spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol?
spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol has a molecular weight of 243.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol is sourced from PubChem (CID 142106754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).