(5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C13H12Cl2N2O3 — CID 97076695

IUPAC(5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCOC2)C(=O)N1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2N2O3/c14-9-1-2-10(15)8(5-9)6-17-11(18)13(16-12(17)19)3-4-20-7-13/h1-2,5H,3-4,6-7H2,(H,16,19)/t13-/m0/s1
InChIKeyPJMLHKVEZYCODB-ZDUSSCGKSA-N
MW315.16 g/mol
LogP2.20
Rot. Bonds2

About (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 97076695) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID97076695
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name(5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCOC2)C(=O)N1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2N2O3/c14-9-1-2-10(15)8(5-9)6-17-11(18)13(16-12(17)19)3-4-20-7-13/h1-2,5H,3-4,6-7H2,(H,16,19)/t13-/m0/s1
InChIKeyPJMLHKVEZYCODB-ZDUSSCGKSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 97076695) is (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N[C@]2(CCOC2)C(=O)N1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is PJMLHKVEZYCODB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c14-9-1-2-10(15)8(5-9)6-17-11(18)13(16-12(17)19)3-4-20-7-13/h1-2,5H,3-4,6-7H2,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 315.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,5-dichlorophenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 97076695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).