8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

C21H29N3O2 — CID 134070533

IUPAC8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(C(=O)c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C21H29N3O2/c1-4-14-24-19(25)7-5-12-21(24)13-6-15-23(16-21)20(26)17-8-10-18(11-9-17)22(2)3/h4,8-11H,1,5-7,12-16H2,2-3H3
InChIKeyIBXPXGNPDVUYDK-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.93
Rot. Bonds4

About 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 134070533) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID134070533
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(C(=O)c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C21H29N3O2/c1-4-14-24-19(25)7-5-12-21(24)13-6-15-23(16-21)20(26)17-8-10-18(11-9-17)22(2)3/h4,8-11H,1,5-7,12-16H2,2-3H3
InChIKeyIBXPXGNPDVUYDK-UHFFFAOYSA-N
XLogP2.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (CID 134070533) is 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is C=CCN1C(=O)CCCC12CCCN(C(=O)c1ccc(N(C)C)cc1)C2.
What is the InChIKey of 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is IBXPXGNPDVUYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-14-24-19(25)7-5-12-21(24)13-6-15-23(16-21)20(26)17-8-10-18(11-9-17)22(2)3/h4,8-11H,1,5-7,12-16H2,2-3H3.
What are the key properties of 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 134070533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).