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

C14H23NO — CID 130310982

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
SMILESCC(C)(C)C1=CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-7-9-15(10-8-12)13(16)11-5-4-6-11/h7,11H,4-6,8-10H2,1-3H3
InChIKeyWKRCNEGUMLNGRV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds1

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

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone (PubChem CID 130310982) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
PubChem CID130310982
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
SMILESCC(C)(C)C1=CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-7-9-15(10-8-12)13(16)11-5-4-6-11/h7,11H,4-6,8-10H2,1-3H3
InChIKeyWKRCNEGUMLNGRV-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
CID 115776440
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774573
cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 138702100
6-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 114459822
7-azabicyclo[2.2.1]heptan-2-yl-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459904
4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774578
4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774734
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 114459929
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-one
CID 121450240
(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104928967
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
cyclohexyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166001224

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone (CID 130310982) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone is CC(C)(C)C1=CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone?
The InChIKey is WKRCNEGUMLNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)12-7-9-15(10-8-12)13(16)11-5-4-6-11/h7,11H,4-6,8-10H2,1-3H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone has a molecular weight of 221.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 130310982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).