N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide

C12H21NO2 — CID 131197269

IUPACN-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide
SMILESCC(C)=CC(=O)N(C)C1COC(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)6-11(14)13(5)10-7-12(3,4)15-8-10/h6,10H,7-8H2,1-5H3
InChIKeyOHIKNBINGPVRPP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds2

About N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide

N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide (PubChem CID 131197269) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide
PubChem CID131197269
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide
SMILESCC(C)=CC(=O)N(C)C1COC(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)6-11(14)13(5)10-7-12(3,4)15-8-10/h6,10H,7-8H2,1-5H3
InChIKeyOHIKNBINGPVRPP-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide
CID 130598254
5-amino-2,2-dimethyloxan-4-ol
CID 123616838
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid
CID 131218860
tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 131606550
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
CID 139541071
tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 125454461
N,N,3,3-tetramethylcyclobutane-1-carboxamide
CID 45123501
N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 91835511
2,2-dimethyl-4-(nitrosomethyl)oxolane
CID 163951788

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide?
The IUPAC name of N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide (CID 131197269) is N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide?
The canonical SMILES for N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide is CC(C)=CC(=O)N(C)C1COC(C)(C)C1.
What is the InChIKey of N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide?
The InChIKey is OHIKNBINGPVRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)6-11(14)13(5)10-7-12(3,4)15-8-10/h6,10H,7-8H2,1-5H3.
What are the key properties of N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide?
N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyloxolan-3-yl)-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 131197269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).