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

C14H21NO2 — CID 3021245

IUPAC2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
SMILESO=C1C2=C(CCCC2)CC1CN1CCOCC1
InChIInChI=1S/C14H21NO2/c16-14-12(10-15-5-7-17-8-6-15)9-11-3-1-2-4-13(11)14/h12H,1-10H2
InChIKeyXKPYNUJWLRCVRM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds2

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

2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one (PubChem CID 3021245) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
PubChem CID3021245
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
SMILESO=C1C2=C(CCCC2)CC1CN1CCOCC1
InChIInChI=1S/C14H21NO2/c16-14-12(10-15-5-7-17-8-6-15)9-11-3-1-2-4-13(11)14/h12H,1-10H2
InChIKeyXKPYNUJWLRCVRM-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1(2H)-Pentalenone, 3,4,5,6-tetrahydro-3-methyl-2-(morpholinomethyl)-, hydrochloride
CID 3021234
1-Indanone, 4,5,6,7-tetrahydro-2-(morpholinomethyl)-, hydrochloride
CID 3021244
1-Indanone, 4,5,6,7-tetrahydro-3-methyl-4-(morpholinomethyl)-, hydrochloride
CID 3021250
2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one;hydrochloride
CID 368458
(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 50988763
2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one
CID 368459
3-methyl-2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one
CID 3021235
3-Methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
CID 3021251
(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 6172318
3,5,5-Trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 12543840
3,5,5-Trimethyl-2-(1-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 21679952
3-Ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one
CID 118081045

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one (CID 3021245) is 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one is O=C1C2=C(CCCC2)CC1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one?
The InChIKey is XKPYNUJWLRCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14-12(10-15-5-7-17-8-6-15)9-11-3-1-2-4-13(11)14/h12H,1-10H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one?
2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one is sourced from PubChem (CID 3021245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).