3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one

C12H15NO — CID 114877328

IUPAC3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccncc1C(=O)CCC1CC1
InChIInChI=1S/C12H15NO/c1-9-6-7-13-8-11(9)12(14)5-4-10-2-3-10/h6-8,10H,2-5H2,1H3
InChIKeyKVFRJFNJGNTFID-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds4

About 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one

3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one (PubChem CID 114877328) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
PubChem CID114877328
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccncc1C(=O)CCC1CC1
InChIInChI=1S/C12H15NO/c1-9-6-7-13-8-11(9)12(14)5-4-10-2-3-10/h6-8,10H,2-5H2,1H3
InChIKeyKVFRJFNJGNTFID-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one (CID 114877328) is 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one is Cc1ccncc1C(=O)CCC1CC1.
What is the InChIKey of 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one?
The InChIKey is KVFRJFNJGNTFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-6-7-13-8-11(9)12(14)5-4-10-2-3-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one?
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 114877328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).