1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one

C11H16N2O — CID 65480568

IUPAC1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one
SMILESNCCC1(Cn2ccc(=O)cc2)CC1
InChIInChI=1S/C11H16N2O/c12-6-5-11(3-4-11)9-13-7-1-10(14)2-8-13/h1-2,7-8H,3-6,9,12H2
InChIKeyQKQGPARHYCZGSK-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.98
Rot. Bonds4

About 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one

1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one (PubChem CID 65480568) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one
PubChem CID65480568
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one
SMILESNCCC1(Cn2ccc(=O)cc2)CC1
InChIInChI=1S/C11H16N2O/c12-6-5-11(3-4-11)9-13-7-1-10(14)2-8-13/h1-2,7-8H,3-6,9,12H2
InChIKeyQKQGPARHYCZGSK-UHFFFAOYSA-N
XLogP0.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one?
The IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one (CID 65480568) is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one is NCCC1(Cn2ccc(=O)cc2)CC1.
What is the InChIKey of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one?
The InChIKey is QKQGPARHYCZGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-6-5-11(3-4-11)9-13-7-1-10(14)2-8-13/h1-2,7-8H,3-6,9,12H2.
What are the key properties of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one?
1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridin-4-one is sourced from PubChem (CID 65480568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).