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

C15H26N2O — CID 114459997

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC(C)(C)C1=CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C15H26N2O/c1-14(2,3)12-5-9-17(10-6-12)13(18)15(4)7-8-16-11-15/h5,16H,6-11H2,1-4H3
InChIKeyYHSNTERFMUOANY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.19
Rot. Bonds1

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

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 114459997) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID114459997
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC(C)(C)C1=CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C15H26N2O/c1-14(2,3)12-5-9-17(10-6-12)13(18)15(4)7-8-16-11-15/h5,16H,6-11H2,1-4H3
InChIKeyYHSNTERFMUOANY-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.19
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)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 114459997) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is CC(C)(C)C1=CCN(C(=O)C2(C)CCNC2)CC1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is YHSNTERFMUOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,3)12-5-9-17(10-6-12)13(18)15(4)7-8-16-11-15/h5,16H,6-11H2,1-4H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.19, 1 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)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114459997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).