N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide

C9H15NO2 — CID 131177292

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1CCC=CO1
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-7-8-5-3-4-6-12-8/h4,6,8H,2-3,5,7H2,1H3,(H,10,11)
InChIKeyMRLGYLCSFWUUPE-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide (PubChem CID 131177292) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
PubChem CID131177292
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1CCC=CO1
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-7-8-5-3-4-6-12-8/h4,6,8H,2-3,5,7H2,1H3,(H,10,11)
InChIKeyMRLGYLCSFWUUPE-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-propan-2-yloxypropanamide
CID 97820590
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 126996521
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 130834904
N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 88981807
N-(2,3-dihydrofuran-2-ylmethyl)-2-methylpropanamide
CID 88984605
N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide
CID 89341512
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
CID 102248495
N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131225571
N-(2-methoxyethyl)hex-5-enamide
CID 153967306
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62064201
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
CID 62064202

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide (CID 131177292) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide is CCC(=O)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
The InChIKey is MRLGYLCSFWUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(11)10-7-8-5-3-4-6-12-8/h4,6,8H,2-3,5,7H2,1H3,(H,10,11).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide has a molecular weight of 169.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)propanamide is sourced from PubChem (CID 131177292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).