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

C18H25NO — CID 2729789

IUPAC1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2C(C)CC12CCCCC2
InChIInChI=1S/C18H25NO/c1-14-12-18(10-6-3-7-11-18)19(15(2)20)13-16-8-4-5-9-17(14)16/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyAQBVZAXFWPOMLT-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.25
Rot. Bonds

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

1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone (PubChem CID 2729789) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
PubChem CID2729789
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
SMILESCC(=O)N1Cc2ccccc2C(C)CC12CCCCC2
InChIInChI=1S/C18H25NO/c1-14-12-18(10-6-3-7-11-18)19(15(2)20)13-16-8-4-5-9-17(14)16/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyAQBVZAXFWPOMLT-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone with MolForge

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Related Compounds

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CID 8966
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CID 773338
5,7-dihydro-6H-dibenzo[c,e]azepine-6-carbaldehyde
CID 872028
2-Methyl-N,N-bis(phenylmethyl)propionamide
CID 94897
N-Benzyl-N-methylisobutyramide
CID 4278282
N-benzyl-N-tert-butyl-3-phenylpropanamide
CID 1319993
1-(1,5,5-Trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 2942724
(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-phenylmethanone
CID 3115785
1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
CID 4673107
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-methylacetamide
CID 9993507

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
The IUPAC name of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone (CID 2729789) is 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
The canonical SMILES for 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone is CC(=O)N1Cc2ccccc2C(C)CC12CCCCC2.
What is the InChIKey of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
The InChIKey is AQBVZAXFWPOMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14-12-18(10-6-3-7-11-18)19(15(2)20)13-16-8-4-5-9-17(14)16/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone?
1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone has a molecular weight of 271.40 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone is sourced from PubChem (CID 2729789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).