N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide

C9H16N2O — CID 59131198

IUPACN-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide
SMILESCCN1C=C(NC(C)=O)CCC1
InChIInChI=1S/C9H16N2O/c1-3-11-6-4-5-9(7-11)10-8(2)12/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyKOBKZAMBMGBMCM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds2

About N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide

N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide (PubChem CID 59131198) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide
PubChem CID59131198
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide
SMILESCCN1C=C(NC(C)=O)CCC1
InChIInChI=1S/C9H16N2O/c1-3-11-6-4-5-9(7-11)10-8(2)12/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyKOBKZAMBMGBMCM-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide?
The IUPAC name of N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide (CID 59131198) is N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide is CCN1C=C(NC(C)=O)CCC1.
What is the InChIKey of N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide?
The InChIKey is KOBKZAMBMGBMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11-6-4-5-9(7-11)10-8(2)12/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide?
N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide is sourced from PubChem (CID 59131198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).