1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one

C10H10N2O2 — CID 174427058

IUPAC1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(C(C)=O)ccnc1N
InChIInChI=1S/C10H10N2O2/c1-3-8(14)9-7(6(2)13)4-5-12-10(9)11/h3-5H,1H2,2H3,(H2,11,12)
InChIKeyGOCHLRFWZNGJGI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.24
Rot. Bonds3

About 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one

1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one (PubChem CID 174427058) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one
PubChem CID174427058
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(C(C)=O)ccnc1N
InChIInChI=1S/C10H10N2O2/c1-3-8(14)9-7(6(2)13)4-5-12-10(9)11/h3-5H,1H2,2H3,(H2,11,12)
InChIKeyGOCHLRFWZNGJGI-UHFFFAOYSA-N
XLogP1.24
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one?
The IUPAC name of 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one (CID 174427058) is 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one is C=CC(=O)c1c(C(C)=O)ccnc1N.
What is the InChIKey of 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one?
The InChIKey is GOCHLRFWZNGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-8(14)9-7(6(2)13)4-5-12-10(9)11/h3-5H,1H2,2H3,(H2,11,12).
What are the key properties of 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one?
1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one has a molecular weight of 190.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 174427058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).