N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide

C9H14N2O — CID 142211705

IUPACN-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=NCCC=C1
InChIInChI=1S/C9H14N2O/c1-8(12)10-7-5-9-4-2-3-6-11-9/h2,4H,3,5-7H2,1H3,(H,10,12)
InChIKeyKOSFKHAHVKIJBB-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.91
Rot. Bonds3

About N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide

N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide (PubChem CID 142211705) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide
PubChem CID142211705
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=NCCC=C1
InChIInChI=1S/C9H14N2O/c1-8(12)10-7-5-9-4-2-3-6-11-9/h2,4H,3,5-7H2,1H3,(H,10,12)
InChIKeyKOSFKHAHVKIJBB-UHFFFAOYSA-N
XLogP0.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
N,8-diethyl-1,4-diazocine-5-carboxamide
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N-butyl-2H-benzimidazole-2-carboxamide
CID 89486650
N-(2,3-dihydropyridin-6-ylmethyl)pentanamide
CID 91391690
3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
CID 91425388
N-[3-(benzimidazol-2-ylidene)propyl]acetamide
CID 91529045
2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide
CID 123613729
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-(3,4-dihydropyridin-2-ylmethyl)acetamide
CID 126633453
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide
CID 134479515

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide (CID 142211705) is N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide is CC(=O)NCCC1=NCCC=C1.
What is the InChIKey of N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide?
The InChIKey is KOSFKHAHVKIJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(12)10-7-5-9-4-2-3-6-11-9/h2,4H,3,5-7H2,1H3,(H,10,12).
What are the key properties of N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide?
N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide is sourced from PubChem (CID 142211705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).