N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide

C7H12N2O — CID 89063631

IUPACN-(1,2,3,4-tetrahydropyridin-5-yl)acetamide
SMILESCC(=O)NC1=CNCCC1
InChIInChI=1S/C7H12N2O/c1-6(10)9-7-3-2-4-8-5-7/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyCKOFDKYDWIUMRJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.35
Rot. Bonds1

About N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide

N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide (PubChem CID 89063631) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydropyridin-5-yl)acetamide
PubChem CID89063631
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(1,2,3,4-tetrahydropyridin-5-yl)acetamide
SMILESCC(=O)NC1=CNCCC1
InChIInChI=1S/C7H12N2O/c1-6(10)9-7-3-2-4-8-5-7/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyCKOFDKYDWIUMRJ-UHFFFAOYSA-N
XLogP0.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide?
The IUPAC name of N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide (CID 89063631) is N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide is CC(=O)NC1=CNCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide?
The InChIKey is CKOFDKYDWIUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(10)9-7-3-2-4-8-5-7/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide?
N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide has a molecular weight of 140.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydropyridin-5-yl)acetamide is sourced from PubChem (CID 89063631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).