1-(4-propyl-2-pyridinyl)ethanone

C10H13NO — CID 23003444

IUPAC1-(4-propyl-2-pyridinyl)ethanone
SMILESCCCc1ccnc(C(C)=O)c1
InChIInChI=1S/C10H13NO/c1-3-4-9-5-6-11-10(7-9)8(2)12/h5-7H,3-4H2,1-2H3
InChIKeyIYMHBVFPCGYFJT-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.24
Rot. Bonds3

About 1-(4-propyl-2-pyridinyl)ethanone

1-(4-propyl-2-pyridinyl)ethanone (PubChem CID 23003444) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4-propyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-propyl-2-pyridinyl)ethanone
PubChem CID23003444
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(4-propyl-2-pyridinyl)ethanone
SMILESCCCc1ccnc(C(C)=O)c1
InChIInChI=1S/C10H13NO/c1-3-4-9-5-6-11-10(7-9)8(2)12/h5-7H,3-4H2,1-2H3
InChIKeyIYMHBVFPCGYFJT-UHFFFAOYSA-N
XLogP2.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-docosylpyridine-2-carboxylic acid
CID 174759337
1-[4-(2-methoxyethoxymethyl)-2-pyridinyl]ethanone
CID 155235183
1-(4-propyl-2-pyridinyl)pentan-2-one
CID 123890630
2-methyl-4-propylpyridine
CID 3358679
4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
CID 115116947
2-propyl-4-[2-(2-propyl-4-pyridinyl)ethyl]pyridine
CID 139918723
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
CID 143887613
N-(4-propyl-2-pyridinyl)prop-2-enamide
CID 176981976
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(methylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63884403
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297

Frequently Asked Questions

What is the IUPAC name of 1-(4-propyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-propyl-2-pyridinyl)ethanone (CID 23003444) is 1-(4-propyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-propyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-propyl-2-pyridinyl)ethanone is CCCc1ccnc(C(C)=O)c1.
What is the InChIKey of 1-(4-propyl-2-pyridinyl)ethanone?
The InChIKey is IYMHBVFPCGYFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-9-5-6-11-10(7-9)8(2)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(4-propyl-2-pyridinyl)ethanone?
1-(4-propyl-2-pyridinyl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyl-2-pyridinyl)ethanone is sourced from PubChem (CID 23003444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).