(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C14H19N3O3 — CID 95773358

IUPAC(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(CCN(C(=O)CC3=CCCCC3)C2)N1
InChIInChI=1S/C14H19N3O3/c18-11(8-10-4-2-1-3-5-10)17-7-6-14(9-17)12(19)15-13(20)16-14/h4H,1-3,5-9H2,(H2,15,16,19,20)/t14-/m1/s1
InChIKeyNHOCHNDWWDSSQQ-CQSZACIVSA-N
MW277.32 g/mol
LogP0.69
Rot. Bonds2

About (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 95773358) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID95773358
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(CCN(C(=O)CC3=CCCCC3)C2)N1
InChIInChI=1S/C14H19N3O3/c18-11(8-10-4-2-1-3-5-10)17-7-6-14(9-17)12(19)15-13(20)16-14/h4H,1-3,5-9H2,(H2,15,16,19,20)/t14-/m1/s1
InChIKeyNHOCHNDWWDSSQQ-CQSZACIVSA-N
XLogP0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727391
1-[2-(cyclohexen-1-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258940
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995917
7-[2-(2-fluorophenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996426
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 129483951
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
CID 127892280
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406333
2-(cyclohexen-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 84592419
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 95773358) is (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)[C@]2(CCN(C(=O)CC3=CCCCC3)C2)N1.
What is the InChIKey of (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is NHOCHNDWWDSSQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-11(8-10-4-2-1-3-5-10)17-7-6-14(9-17)12(19)15-13(20)16-14/h4H,1-3,5-9H2,(H2,15,16,19,20)/t14-/m1/s1.
What are the key properties of (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 95773358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).