3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride

C15H24ClNO2 — CID 3021250

IUPAC3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride
SMILESCC1CC(=O)C2=C1C(CN1CCOCC1)CCC2.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-11-9-14(17)13-4-2-3-12(15(11)13)10-16-5-7-18-8-6-16;/h11-12H,2-10H2,1H3;1H
InChIKeyZAAACZFQWLUIMF-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.45
Rot. Bonds2

About 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride

3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride (PubChem CID 3021250) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride
PubChem CID3021250
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride
SMILESCC1CC(=O)C2=C1C(CN1CCOCC1)CCC2.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-11-9-14(17)13-4-2-3-12(15(11)13)10-16-5-7-18-8-6-16;/h11-12H,2-10H2,1H3;1H
InChIKeyZAAACZFQWLUIMF-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride?
The IUPAC name of 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride (CID 3021250) is 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride.
What is the SMILES notation for 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride?
The canonical SMILES for 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride is CC1CC(=O)C2=C1C(CN1CCOCC1)CCC2.Cl.
What is the InChIKey of 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride?
The InChIKey is ZAAACZFQWLUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-11-9-14(17)13-4-2-3-12(15(11)13)10-16-5-7-18-8-6-16;/h11-12H,2-10H2,1H3;1H.
What are the key properties of 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride?
3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride is sourced from PubChem (CID 3021250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).