4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one

C14H25NO — CID 158219570

IUPAC4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one
SMILESCC(C)CC(=O)CN1CC=C(C(C)C)CC1
InChIInChI=1S/C14H25NO/c1-11(2)9-14(16)10-15-7-5-13(6-8-15)12(3)4/h5,11-12H,6-10H2,1-4H3
InChIKeyGDBSAZVZJZWCQJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one

4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one (PubChem CID 158219570) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one
PubChem CID158219570
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one
SMILESCC(C)CC(=O)CN1CC=C(C(C)C)CC1
InChIInChI=1S/C14H25NO/c1-11(2)9-14(16)10-15-7-5-13(6-8-15)12(3)4/h5,11-12H,6-10H2,1-4H3
InChIKeyGDBSAZVZJZWCQJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
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-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one?
The IUPAC name of 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one (CID 158219570) is 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one?
The canonical SMILES for 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one is CC(C)CC(=O)CN1CC=C(C(C)C)CC1.
What is the InChIKey of 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one?
The InChIKey is GDBSAZVZJZWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)9-14(16)10-15-7-5-13(6-8-15)12(3)4/h5,11-12H,6-10H2,1-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one?
4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one is sourced from PubChem (CID 158219570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).