3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H15N3O3 — CID 134274739

IUPAC3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C11H15N3O3/c1-3-8(15)14-6-4-11(5-7-14)9(16)13(2)10(17)12-11/h3H,1,4-7H2,2H3,(H,12,17)
InChIKeyHLJVYBBSZBDPLE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.28
Rot. Bonds1

About 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 134274739) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID134274739
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C11H15N3O3/c1-3-8(15)14-6-4-11(5-7-14)9(16)13(2)10(17)12-11/h3H,1,4-7H2,2H3,(H,12,17)
InChIKeyHLJVYBBSZBDPLE-UHFFFAOYSA-N
XLogP-0.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 153517448
3-Ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759421
8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30545070
8-Isobutyryl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109420
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 272002
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931314
1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-methyl-3-(2-propynyl)-
CID 10198365
3,8-Dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097484
3-Ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097487
2-(1-Ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl)acetamide
CID 118759638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 134274739) is 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C=CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HLJVYBBSZBDPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-8(15)14-6-4-11(5-7-14)9(16)13(2)10(17)12-11/h3H,1,4-7H2,2H3,(H,12,17).
What are the key properties of 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-prop-2-enoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 134274739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).