8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one

C16H22N4O2 — CID 97493756

IUPAC8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CCC12CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C16H22N4O2/c1-3-8-20-14(21)4-5-16(20)6-9-19(10-7-16)15(22)13-11-17-18(2)12-13/h3,11-12H,1,4-10H2,2H3
InChIKeyLOLBVPDNRJZEMB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.20
Rot. Bonds3

About 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one

8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493756) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493756
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CCC12CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C16H22N4O2/c1-3-8-20-14(21)4-5-16(20)6-9-19(10-7-16)15(22)13-11-17-18(2)12-13/h3,11-12H,1,4-10H2,2H3
InChIKeyLOLBVPDNRJZEMB-UHFFFAOYSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.20
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-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one (CID 97493756) is 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one is C=CCN1C(=O)CCC12CCN(C(=O)c1cnn(C)c1)CC2.
What is the InChIKey of 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LOLBVPDNRJZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-8-20-14(21)4-5-16(20)6-9-19(10-7-16)15(22)13-11-17-18(2)12-13/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one?
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).