(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one

C8H10N2O — CID 163766536

IUPAC(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one
SMILESN/C=C/C(=O)C1=CNCC=C1
InChIInChI=1S/C8H10N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-4,6,10H,5,9H2/b4-3+
InChIKeyMCTPBUQXNZAYAX-ONEGZZNKSA-N
MW150.18 g/mol
LogP0.07
Rot. Bonds2

About (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one

(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one (PubChem CID 163766536) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one
PubChem CID163766536
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one
SMILESN/C=C/C(=O)C1=CNCC=C1
InChIInChI=1S/C8H10N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-4,6,10H,5,9H2/b4-3+
InChIKeyMCTPBUQXNZAYAX-ONEGZZNKSA-N
XLogP0.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-dihydropyridin-5-yl)propan-1-one
CID 156524495
propan-2-yl 1,2-dihydropyridine-5-carboxylate
CID 141307542
tert-butyl 1,2-dihydropyridine-5-carboxylate
CID 159948262
ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine
CID 143452613
1,2-dihydropyridine-5-carbaldehyde
CID 19045893
[(E)-3-(1,2-dihydropyridin-5-yl)prop-2-enyl] carboniodidate
CID 126710964
3-amino-1-(4-aminophenyl)prop-2-en-1-one
CID 70629831
3-amino-1-silylprop-2-en-1-one
CID 154481802
2-cyclohexyl-2-(1,2-dihydropyridin-5-yl)propanamide
CID 175704344
4-(1,2-dihydropyridin-5-yl)pyridine
CID 154469275
4-amino-1,2-dihydropyridine-5-carboxylic acid
CID 86340261
(E)-3-aminoprop-2-enoic acid
CID 10148985

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one (CID 163766536) is (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one is N/C=C/C(=O)C1=CNCC=C1.
What is the InChIKey of (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one?
The InChIKey is MCTPBUQXNZAYAX-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-4,6,10H,5,9H2/b4-3+.
What are the key properties of (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one?
(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 163766536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).