(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H25N5O3 — CID 97146455

IUPAC(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CC[C@]2(CCC1=O)CN(C(=O)c1nonc1C)CCN2C
InChIInChI=1S/C17H25N5O3/c1-4-8-21-9-7-17(6-5-14(21)23)12-22(11-10-20(17)3)16(24)15-13(2)18-25-19-15/h4H,1,5-12H2,2-3H3/t17-/m1/s1
InChIKeyKVSXLCKEHRKOII-QGZVFWFLSA-N
MW347.42 g/mol
LogP0.70
Rot. Bonds3

About (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97146455) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97146455
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CC[C@]2(CCC1=O)CN(C(=O)c1nonc1C)CCN2C
InChIInChI=1S/C17H25N5O3/c1-4-8-21-9-7-17(6-5-14(21)23)12-22(11-10-20(17)3)16(24)15-13(2)18-25-19-15/h4H,1,5-12H2,2-3H3/t17-/m1/s1
InChIKeyKVSXLCKEHRKOII-QGZVFWFLSA-N
XLogP0.70
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97146455) is (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CC[C@]2(CCC1=O)CN(C(=O)c1nonc1C)CCN2C.
What is the InChIKey of (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KVSXLCKEHRKOII-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-4-8-21-9-7-17(6-5-14(21)23)12-22(11-10-20(17)3)16(24)15-13(2)18-25-19-15/h4H,1,5-12H2,2-3H3/t17-/m1/s1.
What are the key properties of (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 347.42 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97146455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).