8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H27N3O2 — CID 57183400

IUPAC8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=CCN1C(=O)NC2(CC(C)(C)N(CC)C(C)(C)C2)C1=O
InChIInChI=1S/C16H27N3O2/c1-7-9-18-12(20)16(17-13(18)21)10-14(3,4)19(8-2)15(5,6)11-16/h7H,1,8-11H2,2-6H3,(H,17,21)
InChIKeyJMSVONTXHULGIH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.14
Rot. Bonds3

About 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 57183400) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID57183400
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=CCN1C(=O)NC2(CC(C)(C)N(CC)C(C)(C)C2)C1=O
InChIInChI=1S/C16H27N3O2/c1-7-9-18-12(20)16(17-13(18)21)10-14(3,4)19(8-2)15(5,6)11-16/h7H,1,8-11H2,2-6H3,(H,17,21)
InChIKeyJMSVONTXHULGIH-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 57183400) is 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C=CCN1C(=O)NC2(CC(C)(C)N(CC)C(C)(C)C2)C1=O.
What is the InChIKey of 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JMSVONTXHULGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-7-9-18-12(20)16(17-13(18)21)10-14(3,4)19(8-2)15(5,6)11-16/h7H,1,8-11H2,2-6H3,(H,17,21).
What are the key properties of 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7,7,9,9-tetramethyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 57183400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).