1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one

C14H23NO — CID 174707018

IUPAC1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one
SMILESCC1C=CC=CN1C1CC1.CCC(=O)CC
InChIInChI=1S/C9H13N.C5H10O/c1-8-4-2-3-7-10(8)9-5-6-9;1-3-5(6)4-2/h2-4,7-9H,5-6H2,1H3;3-4H2,1-2H3
InChIKeyBPSKPHJEZCMYAQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.30
Rot. Bonds3

About 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one

1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one (PubChem CID 174707018) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one
PubChem CID174707018
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one
SMILESCC1C=CC=CN1C1CC1.CCC(=O)CC
InChIInChI=1S/C9H13N.C5H10O/c1-8-4-2-3-7-10(8)9-5-6-9;1-3-5(6)4-2/h2-4,7-9H,5-6H2,1H3;3-4H2,1-2H3
InChIKeyBPSKPHJEZCMYAQ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one?
The IUPAC name of 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one (CID 174707018) is 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one.
What is the SMILES notation for 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one?
The canonical SMILES for 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one is CC1C=CC=CN1C1CC1.CCC(=O)CC.
What is the InChIKey of 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one?
The InChIKey is BPSKPHJEZCMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C5H10O/c1-8-4-2-3-7-10(8)9-5-6-9;1-3-5(6)4-2/h2-4,7-9H,5-6H2,1H3;3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one?
1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one has a molecular weight of 221.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-2H-pyridine;pentan-3-one is sourced from PubChem (CID 174707018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).