ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H25N3O2 — CID 142619586

IUPACethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C/C=C(\C=C)CN1C(=O)NC2(CCNCC2)C1=O.CC
InChIInChI=1S/C14H19N3O2.C2H6/c1-3-5-11(4-2)10-17-12(18)14(16-13(17)19)6-8-15-9-7-14;1-2/h3-5,15H,1-2,6-10H2,(H,16,19);1-2H3/b11-5+;
InChIKeyFGNHPXJWYWYSOP-HMXKFKBXSA-N
MW291.40 g/mol
LogP1.99
Rot. Bonds4

About ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 142619586) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Nameethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID142619586
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C/C=C(\C=C)CN1C(=O)NC2(CCNCC2)C1=O.CC
InChIInChI=1S/C14H19N3O2.C2H6/c1-3-5-11(4-2)10-17-12(18)14(16-13(17)19)6-8-15-9-7-14;1-2/h3-5,15H,1-2,6-10H2,(H,16,19);1-2H3/b11-5+;
InChIKeyFGNHPXJWYWYSOP-HMXKFKBXSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 142619586) is ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is C=C/C=C(\C=C)CN1C(=O)NC2(CCNCC2)C1=O.CC.
What is the InChIKey of ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FGNHPXJWYWYSOP-HMXKFKBXSA-N. The full InChI is InChI=1S/C14H19N3O2.C2H6/c1-3-5-11(4-2)10-17-12(18)14(16-13(17)19)6-8-15-9-7-14;1-2/h3-5,15H,1-2,6-10H2,(H,16,19);1-2H3/b11-5+;.
What are the key properties of ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 291.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 142619586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).