3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one

C19H23N3O2 — CID 124621260

IUPAC3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one
SMILESCn1cncc1CCC(=O)N1CCO[C@]2(CCc3ccccc32)C1
InChIInChI=1S/C19H23N3O2/c1-21-14-20-12-16(21)6-7-18(23)22-10-11-24-19(13-22)9-8-15-4-2-3-5-17(15)19/h2-5,12,14H,6-11,13H2,1H3/t19-/m1/s1
InChIKeyALMRJKYBPRVNFR-LJQANCHMSA-N
MW325.41 g/mol
LogP2.05
Rot. Bonds3

About 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one

3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one (PubChem CID 124621260) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one
PubChem CID124621260
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one
SMILESCn1cncc1CCC(=O)N1CCO[C@]2(CCc3ccccc32)C1
InChIInChI=1S/C19H23N3O2/c1-21-14-20-12-16(21)6-7-18(23)22-10-11-24-19(13-22)9-8-15-4-2-3-5-17(15)19/h2-5,12,14H,6-11,13H2,1H3/t19-/m1/s1
InChIKeyALMRJKYBPRVNFR-LJQANCHMSA-N
XLogP2.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one?
The IUPAC name of 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one (CID 124621260) is 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one is Cn1cncc1CCC(=O)N1CCO[C@]2(CCc3ccccc32)C1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one?
The InChIKey is ALMRJKYBPRVNFR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-14-20-12-16(21)6-7-18(23)22-10-11-24-19(13-22)9-8-15-4-2-3-5-17(15)19/h2-5,12,14H,6-11,13H2,1H3/t19-/m1/s1.
What are the key properties of 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one?
3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one is sourced from PubChem (CID 124621260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).