1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone

C20H29NO — CID 2942724

IUPAC1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
SMILESCC(=O)N1C(C)c2ccccc2C(C)(C)CC12CCCCC2
InChIInChI=1S/C20H29NO/c1-15-17-10-6-7-11-18(17)19(3,4)14-20(21(15)16(2)22)12-8-5-9-13-20/h6-7,10-11,15H,5,8-9,12-14H2,1-4H3
InChIKeyZOUZBYNFKZTCNL-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.98
Rot. Bonds

About 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone

1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone (PubChem CID 2942724) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
PubChem CID2942724
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
SMILESCC(=O)N1C(C)c2ccccc2C(C)(C)CC12CCCCC2
InChIInChI=1S/C20H29NO/c1-15-17-10-6-7-11-18(17)19(3,4)14-20(21(15)16(2)22)12-8-5-9-13-20/h6-7,10-11,15H,5,8-9,12-14H2,1-4H3
InChIKeyZOUZBYNFKZTCNL-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
The IUPAC name of 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone (CID 2942724) is 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone.
What is the SMILES notation for 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
The canonical SMILES for 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone is CC(=O)N1C(C)c2ccccc2C(C)(C)CC12CCCCC2.
What is the InChIKey of 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
The InChIKey is ZOUZBYNFKZTCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-15-17-10-6-7-11-18(17)19(3,4)14-20(21(15)16(2)22)12-8-5-9-13-20/h6-7,10-11,15H,5,8-9,12-14H2,1-4H3.
What are the key properties of 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone has a molecular weight of 299.46 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone is sourced from PubChem (CID 2942724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).