2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one

C11H18N2O2 — CID 139680153

IUPAC2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one
SMILESCC1CCC2=NN(CCO)C(=O)CC2C1
InChIInChI=1S/C11H18N2O2/c1-8-2-3-10-9(6-8)7-11(15)13(12-10)4-5-14/h8-9,14H,2-7H2,1H3
InChIKeyHSZAYVQQCZEDHU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one

2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one (PubChem CID 139680153) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one
PubChem CID139680153
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one
SMILESCC1CCC2=NN(CCO)C(=O)CC2C1
InChIInChI=1S/C11H18N2O2/c1-8-2-3-10-9(6-8)7-11(15)13(12-10)4-5-14/h8-9,14H,2-7H2,1H3
InChIKeyHSZAYVQQCZEDHU-UHFFFAOYSA-N
XLogP1.00
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one (CID 139680153) is 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one is CC1CCC2=NN(CCO)C(=O)CC2C1.
What is the InChIKey of 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one?
The InChIKey is HSZAYVQQCZEDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-2-3-10-9(6-8)7-11(15)13(12-10)4-5-14/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one?
2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-6-methyl-4,4a,5,6,7,8-hexahydrocinnolin-3-one is sourced from PubChem (CID 139680153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).