(5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one

C15H21N5O — CID 97495221

IUPAC(5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C)C(=O)[C@@]12CCN(c1cnccn1)C2
InChIInChI=1S/C15H21N5O/c1-3-7-20-10-9-18(2)14(21)15(20)4-8-19(12-15)13-11-16-5-6-17-13/h3,5-6,11H,1,4,7-10,12H2,2H3/t15-/m0/s1
InChIKeyMWILOJOUFQRUDS-HNNXBMFYSA-N
MW287.37 g/mol
LogP0.39
Rot. Bonds3

About (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one

(5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 97495221) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID97495221
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C)C(=O)[C@@]12CCN(c1cnccn1)C2
InChIInChI=1S/C15H21N5O/c1-3-7-20-10-9-18(2)14(21)15(20)4-8-19(12-15)13-11-16-5-6-17-13/h3,5-6,11H,1,4,7-10,12H2,2H3/t15-/m0/s1
InChIKeyMWILOJOUFQRUDS-HNNXBMFYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one (CID 97495221) is (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C)C(=O)[C@@]12CCN(c1cnccn1)C2.
What is the InChIKey of (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is MWILOJOUFQRUDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-7-20-10-9-18(2)14(21)15(20)4-8-19(12-15)13-11-16-5-6-17-13/h3,5-6,11H,1,4,7-10,12H2,2H3/t15-/m0/s1.
What are the key properties of (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one?
(5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 287.37 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-methyl-6-prop-2-enyl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 97495221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).