N,3-dimethylbut-3-enamide

C12H22N2O2 — CID 159742921

IUPACN,3-dimethylbut-3-enamide
SMILESC=C(C)CC(=O)NC.C=C(C)CC(=O)NC
InChIInChI=1S/2C6H11NO/c2*1-5(2)4-6(8)7-3/h2*1,4H2,2-3H3,(H,7,8)
InChIKeyNCRKDSDKACLKKB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.40
Rot. Bonds4

About N,3-dimethylbut-3-enamide

N,3-dimethylbut-3-enamide (PubChem CID 159742921) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,3-dimethylbut-3-enamide.

Molecular Properties

Compound NameN,3-dimethylbut-3-enamide
PubChem CID159742921
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN,3-dimethylbut-3-enamide
SMILESC=C(C)CC(=O)NC.C=C(C)CC(=O)NC
InChIInChI=1S/2C6H11NO/c2*1-5(2)4-6(8)7-3/h2*1,4H2,2-3H3,(H,7,8)
InChIKeyNCRKDSDKACLKKB-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-3-enamide?
The IUPAC name of N,3-dimethylbut-3-enamide (CID 159742921) is N,3-dimethylbut-3-enamide.
What is the SMILES notation for N,3-dimethylbut-3-enamide?
The canonical SMILES for N,3-dimethylbut-3-enamide is C=C(C)CC(=O)NC.C=C(C)CC(=O)NC.
What is the InChIKey of N,3-dimethylbut-3-enamide?
The InChIKey is NCRKDSDKACLKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO/c2*1-5(2)4-6(8)7-3/h2*1,4H2,2-3H3,(H,7,8).
What are the key properties of N,3-dimethylbut-3-enamide?
N,3-dimethylbut-3-enamide has a molecular weight of 226.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-3-enamide is sourced from PubChem (CID 159742921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).