3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide

C10H14N2O — CID 90845381

IUPAC3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=CC1=CCCN=C1
InChIInChI=1S/C10H14N2O/c1-12(2)10(13)6-5-9-4-3-7-11-8-9/h4-6,8H,3,7H2,1-2H3
InChIKeyZIRBYUJLWORMKO-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.03
Rot. Bonds2

About 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide

3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide (PubChem CID 90845381) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
PubChem CID90845381
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=CC1=CCCN=C1
InChIInChI=1S/C10H14N2O/c1-12(2)10(13)6-5-9-4-3-7-11-8-9/h4-6,8H,3,7H2,1-2H3
InChIKeyZIRBYUJLWORMKO-UHFFFAOYSA-N
XLogP1.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-methylidenepyridin-2-one
CID 57823656
CID 59369479
CID 59369479
N,N,3-trimethyl-2,3-dihydropyridine-5-carboxamide
CID 68348581
(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
CID 70232698
5-Methylidenepyridin-2-one
CID 74059266
N,N-dimethyl-3-(3-methyl-2,3-dihydropyridin-5-yl)prop-2-enamide
CID 91432633
3-(2,5-dihydropyridin-3-yl)-N-methylprop-2-enamide
CID 91578745
1,6-Dimethyl-5-(methyliminomethyl)pyridin-2-one
CID 123207508
1-(1,3,4,7-Tetrahydropyrido[3,4-c]azepin-2-yl)ethanone
CID 143019342
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one;ethane
CID 143839050
ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 143839053
1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one
CID 155041166

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide (CID 90845381) is 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=CC1=CCCN=C1.
What is the InChIKey of 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is ZIRBYUJLWORMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(2)10(13)6-5-9-4-3-7-11-8-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide?
3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 178.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 90845381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).