[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

C17H23N3O — CID 56759311

IUPAC[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESC=CCC1(CC=C)CCCN1C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-5-8-17(9-6-2)10-7-11-20(17)16(21)15-12-13(3)18-14(4)19-15/h5-6,12H,1-2,7-11H2,3-4H3
InChIKeyLORPULDHVQNUNN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds5

About [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (PubChem CID 56759311) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
PubChem CID56759311
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESC=CCC1(CC=C)CCCN1C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-5-8-17(9-6-2)10-7-11-20(17)16(21)15-12-13(3)18-14(4)19-15/h5-6,12H,1-2,7-11H2,3-4H3
InChIKeyLORPULDHVQNUNN-UHFFFAOYSA-N
XLogP3.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.22
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 [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (CID 56759311) is [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is C=CCC1(CC=C)CCCN1C(=O)c1cc(C)nc(C)n1.
What is the InChIKey of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The InChIKey is LORPULDHVQNUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-8-17(9-6-2)10-7-11-20(17)16(21)15-12-13(3)18-14(4)19-15/h5-6,12H,1-2,7-11H2,3-4H3.
What are the key properties of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is sourced from PubChem (CID 56759311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).