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

C18H25NO — CID 704377

IUPAC1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2[C@H](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/t14-/m1/s1
InChIKeyAQBVZAXFWPOMLT-CQSZACIVSA-N
MW271.40 g/mol
LogP4.25
Rot. Bonds

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

1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone (PubChem CID 704377) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone
PubChem CID704377
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2[C@H](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/t14-/m1/s1
InChIKeyAQBVZAXFWPOMLT-CQSZACIVSA-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-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone with MolForge

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Related Compounds

(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone
CID 3714114
(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cycloheptane]-2-yl)-quinolin-2-ylmethanone
CID 3797130
1-(5-methylspiro[4,5,6,7,8,9-hexahydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 24870079
1-[(4R)-4-methylspiro[3,4-dihydrobenzo[h]quinoline-2,1'-cyclohexane]-1-yl]ethanone
CID 1281764
1-(1-methylspiro[1,2-dihydrobenzo[f]quinoline-3,1'-cyclohexane]-4-yl)ethanone
CID 2869357
1-[(1R)-1,5,5-trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone
CID 1296486
4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110750023
5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride
CID 2858271
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457312
1-[(4S)-4-amino-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96749190
N-spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ylacetamide
CID 21433683
2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone
CID 10688494

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone?
The IUPAC name of 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone (CID 704377) is 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone.
What is the SMILES notation for 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone?
The canonical SMILES for 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone is CC(=O)N1Cc2ccccc2[C@H](C)CC12CCCCC2.
What is the InChIKey of 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone?
The InChIKey is AQBVZAXFWPOMLT-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone?
1-[(5R)-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-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone is sourced from PubChem (CID 704377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).