N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide

C11H17NO2 — CID 131140758

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1=CCCOC1
InChIInChI=1S/C11H17NO2/c1-9(2)6-11(13)12-7-10-4-3-5-14-8-10/h4,6H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyGUZONOBHKHYPCX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide (PubChem CID 131140758) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide
PubChem CID131140758
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1=CCCOC1
InChIInChI=1S/C11H17NO2/c1-9(2)6-11(13)12-7-10-4-3-5-14-8-10/h4,6H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyGUZONOBHKHYPCX-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-difluoroacetamide
CID 130668383
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide
CID 130413228
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide
CID 137383628
3-Methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one
CID 138464389
5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
CID 143931906
N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
CID 151902037
N-[3-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]propanamide
CID 169228677
N-butyl-2-(3,6-dihydro-2H-pyran-5-yl)acetamide
CID 10954508
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide (CID 131140758) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide?
The InChIKey is GUZONOBHKHYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)6-11(13)12-7-10-4-3-5-14-8-10/h4,6H,3,5,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide has a molecular weight of 195.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide is sourced from PubChem (CID 131140758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).