(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone

C17H30N2O — CID 106975869

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CC=C(C(C)(C)C)CC2)CCCN1
InChIInChI=1S/C17H30N2O/c1-5-9-17(10-6-11-18-17)15(20)19-12-7-14(8-13-19)16(2,3)4/h7,18H,5-6,8-13H2,1-4H3
InChIKeyHYFQBSZASZLAQI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.11
Rot. Bonds3

About (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106975869) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106975869
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CC=C(C(C)(C)C)CC2)CCCN1
InChIInChI=1S/C17H30N2O/c1-5-9-17(10-6-11-18-17)15(20)19-12-7-14(8-13-19)16(2,3)4/h7,18H,5-6,8-13H2,1-4H3
InChIKeyHYFQBSZASZLAQI-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone (CID 106975869) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)N2CC=C(C(C)(C)C)CC2)CCCN1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is HYFQBSZASZLAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-9-17(10-6-11-18-17)15(20)19-12-7-14(8-13-19)16(2,3)4/h7,18H,5-6,8-13H2,1-4H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106975869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).