(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C13H15N3O2 — CID 28881549

IUPAC(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@@]2(CCN(Cc3ccccc3)C2)N1
InChIInChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)/t13-/m0/s1
InChIKeyRZHBDUGHJGKVFY-ZDUSSCGKSA-N
MW245.28 g/mol
LogP0.47
Rot. Bonds2

About (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 28881549) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID28881549
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@@]2(CCN(Cc3ccccc3)C2)N1
InChIInChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)/t13-/m0/s1
InChIKeyRZHBDUGHJGKVFY-ZDUSSCGKSA-N
XLogP0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098563
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one
CID 79960832
7-(2-phenylsulfanylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996449
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
CID 97289840
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
3-(9-benzyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 47090391
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995917

Frequently Asked Questions

What is the IUPAC name of (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 28881549) is (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)[C@@]2(CCN(Cc3ccccc3)C2)N1.
What is the InChIKey of (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RZHBDUGHJGKVFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)/t13-/m0/s1.
What are the key properties of (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 28881549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).