3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H27N3O3 — CID 70761535

IUPAC3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)OC1=O
InChIInChI=1S/C22H27N3O3/c1-2-24-14-22(28-21(24)27)10-12-25(13-11-22)20(26)17-8-5-7-16-15-6-3-4-9-18(15)23-19(16)17/h5,7-8,23H,2-4,6,9-14H2,1H3
InChIKeyZYEWURGZMVYQCI-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.49
Rot. Bonds2

About 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70761535) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70761535
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)OC1=O
InChIInChI=1S/C22H27N3O3/c1-2-24-14-22(28-21(24)27)10-12-25(13-11-22)20(26)17-8-5-7-16-15-6-3-4-9-18(15)23-19(16)17/h5,7-8,23H,2-4,6,9-14H2,1H3
InChIKeyZYEWURGZMVYQCI-UHFFFAOYSA-N
XLogP3.49
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 154840539
3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714965
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 37253115
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 146090949
8-(2,3-dimethylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902227
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 90651430
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34989521
8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70761535) is 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZYEWURGZMVYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-24-14-22(28-21(24)27)10-12-25(13-11-22)20(26)17-8-5-7-16-15-6-3-4-9-18(15)23-19(16)17/h5,7-8,23H,2-4,6,9-14H2,1H3.
What are the key properties of 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70761535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).