9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C19H25N3O4 — CID 95193293

IUPAC9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cccc2c1OC[C@H](C(=O)N1CCC3(CC1)NCCNC3=O)C2
InChIInChI=1S/C19H25N3O4/c1-25-15-4-2-3-13-11-14(12-26-16(13)15)17(23)22-9-5-19(6-10-22)18(24)20-7-8-21-19/h2-4,14,21H,5-12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyZPOVRMJRFDTYCS-CQSZACIVSA-N
MW359.43 g/mol
LogP0.33
Rot. Bonds2

About 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one

9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 95193293) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID95193293
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cccc2c1OC[C@H](C(=O)N1CCC3(CC1)NCCNC3=O)C2
InChIInChI=1S/C19H25N3O4/c1-25-15-4-2-3-13-11-14(12-26-16(13)15)17(23)22-9-5-19(6-10-22)18(24)20-7-8-21-19/h2-4,14,21H,5-12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyZPOVRMJRFDTYCS-CQSZACIVSA-N
XLogP0.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 95193293) is 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one is COc1cccc2c1OC[C@H](C(=O)N1CCC3(CC1)NCCNC3=O)C2.
What is the InChIKey of 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is ZPOVRMJRFDTYCS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-15-4-2-3-13-11-14(12-26-16(13)15)17(23)22-9-5-19(6-10-22)18(24)20-7-8-21-19/h2-4,14,21H,5-12H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 359.43 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 95193293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).