N-ethyl-3-methylbut-2-enamide;molecular hydrogen

C7H15NO — CID 142291065

IUPACN-ethyl-3-methylbut-2-enamide;molecular hydrogen
SMILESCCNC(=O)C=C(C)C.[H][H]
InChIInChI=1S/C7H13NO.H2/c1-4-8-7(9)5-6(2)3;/h5H,4H2,1-3H3,(H,8,9);1H
InChIKeyFTDIBIKVXQSACF-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.33
Rot. Bonds2

About N-ethyl-3-methylbut-2-enamide;molecular hydrogen

N-ethyl-3-methylbut-2-enamide;molecular hydrogen (PubChem CID 142291065) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethyl-3-methylbut-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-3-methylbut-2-enamide;molecular hydrogen
PubChem CID142291065
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethyl-3-methylbut-2-enamide;molecular hydrogen
SMILESCCNC(=O)C=C(C)C.[H][H]
InChIInChI=1S/C7H13NO.H2/c1-4-8-7(9)5-6(2)3;/h5H,4H2,1-3H3,(H,8,9);1H
InChIKeyFTDIBIKVXQSACF-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylbut-2-enamide;molecular hydrogen?
The IUPAC name of N-ethyl-3-methylbut-2-enamide;molecular hydrogen (CID 142291065) is N-ethyl-3-methylbut-2-enamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-3-methylbut-2-enamide;molecular hydrogen?
The canonical SMILES for N-ethyl-3-methylbut-2-enamide;molecular hydrogen is CCNC(=O)C=C(C)C.[H][H].
What is the InChIKey of N-ethyl-3-methylbut-2-enamide;molecular hydrogen?
The InChIKey is FTDIBIKVXQSACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.H2/c1-4-8-7(9)5-6(2)3;/h5H,4H2,1-3H3,(H,8,9);1H.
What are the key properties of N-ethyl-3-methylbut-2-enamide;molecular hydrogen?
N-ethyl-3-methylbut-2-enamide;molecular hydrogen has a molecular weight of 129.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylbut-2-enamide;molecular hydrogen is sourced from PubChem (CID 142291065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).