8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C19H26N4O2 — CID 118741191

IUPAC8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C19H26N4O2/c1-21-13-15(12-20-21)16-11-17(24)22(2)19(16)7-9-23(10-8-19)18(25)14-5-3-4-6-14/h3-4,12-14,16H,5-11H2,1-2H3
InChIKeyGDDNZCZPJVEOAJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.69
Rot. Bonds2

About 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118741191) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118741191
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C19H26N4O2/c1-21-13-15(12-20-21)16-11-17(24)22(2)19(16)7-9-23(10-8-19)18(25)14-5-3-4-6-14/h3-4,12-14,16H,5-11H2,1-2H3
InChIKeyGDDNZCZPJVEOAJ-UHFFFAOYSA-N
XLogP1.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 118741191) is 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2cnn(C)c2)C12CCN(C(=O)C1CC=CC1)CC2.
What is the InChIKey of 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GDDNZCZPJVEOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21-13-15(12-20-21)16-11-17(24)22(2)19(16)7-9-23(10-8-19)18(25)14-5-3-4-6-14/h3-4,12-14,16H,5-11H2,1-2H3.
What are the key properties of 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118741191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).