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

C9H13NO2 — CID 102248495

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CCC=CO1
InChIInChI=1S/C9H13NO2/c1-2-9(11)10-7-8-5-3-4-6-12-8/h2,4,6,8H,1,3,5,7H2,(H,10,11)
InChIKeyJJLKCARMQTXWKK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide (PubChem CID 102248495) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
PubChem CID102248495
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CCC=CO1
InChIInChI=1S/C9H13NO2/c1-2-9(11)10-7-8-5-3-4-6-12-8/h2,4,6,8H,1,3,5,7H2,(H,10,11)
InChIKeyJJLKCARMQTXWKK-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-propan-2-yloxypropanamide
CID 97820590
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-(3,4-dihydro-2H-pyran-6-ylmethyl)prop-2-enamide
CID 154236200
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-en-1-amine
CID 62065051
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
CID 62065110
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide
CID 62066905
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide
CID 62066906
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropanamide
CID 86803320
2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
CID 91618592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide (CID 102248495) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide is C=CC(=O)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide?
The InChIKey is JJLKCARMQTXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-9(11)10-7-8-5-3-4-6-12-8/h2,4,6,8H,1,3,5,7H2,(H,10,11).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)prop-2-enamide has a molecular weight of 167.21 g/mol, XLogP of 0.98, 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)prop-2-enamide is sourced from PubChem (CID 102248495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).