7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C13H20N4O2 — CID 131641152

IUPAC7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(CCO)C3)CC2=O)cn1
InChIInChI=1S/C13H20N4O2/c1-15-8-11(7-14-15)17-10-13(6-12(17)19)2-3-16(9-13)4-5-18/h7-8,18H,2-6,9-10H2,1H3
InChIKeyNTGVUXSEQNRBAJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.16
Rot. Bonds3

About 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131641152) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131641152
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(CCO)C3)CC2=O)cn1
InChIInChI=1S/C13H20N4O2/c1-15-8-11(7-14-15)17-10-13(6-12(17)19)2-3-16(9-13)4-5-18/h7-8,18H,2-6,9-10H2,1H3
InChIKeyNTGVUXSEQNRBAJ-UHFFFAOYSA-N
XLogP-0.16
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131641152) is 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(CCO)C3)CC2=O)cn1.
What is the InChIKey of 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is NTGVUXSEQNRBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-8-11(7-14-15)17-10-13(6-12(17)19)2-3-16(9-13)4-5-18/h7-8,18H,2-6,9-10H2,1H3.
What are the key properties of 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131641152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).