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

C8H14N2O — CID 137435247

IUPAC1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC(=O)N1CC=C(N)CC1
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-5-3-7(9)4-6-10/h3H,2,4-6,9H2,1H3
InChIKeySBDQTSIYVBQXKP-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.47
Rot. Bonds1

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

1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 137435247) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID137435247
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC(=O)N1CC=C(N)CC1
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-5-3-7(9)4-6-10/h3H,2,4-6,9H2,1H3
InChIKeySBDQTSIYVBQXKP-UHFFFAOYSA-N
XLogP0.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 137435247) is 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CCC(=O)N1CC=C(N)CC1.
What is the InChIKey of 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is SBDQTSIYVBQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-8(11)10-5-3-7(9)4-6-10/h3H,2,4-6,9H2,1H3.
What are the key properties of 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 137435247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).