2-[cyclopropyl(methyl)amino]but-2-enamide

C8H14N2O — CID 154464636

IUPAC2-[cyclopropyl(methyl)amino]but-2-enamide
SMILESCC=C(C(N)=O)N(C)C1CC1
InChIInChI=1S/C8H14N2O/c1-3-7(8(9)11)10(2)6-4-5-6/h3,6H,4-5H2,1-2H3,(H2,9,11)
InChIKeyMFTNRFUKAQMMPZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.47
Rot. Bonds3

About 2-[cyclopropyl(methyl)amino]but-2-enamide

2-[cyclopropyl(methyl)amino]but-2-enamide (PubChem CID 154464636) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]but-2-enamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]but-2-enamide
PubChem CID154464636
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[cyclopropyl(methyl)amino]but-2-enamide
SMILESCC=C(C(N)=O)N(C)C1CC1
InChIInChI=1S/C8H14N2O/c1-3-7(8(9)11)10(2)6-4-5-6/h3,6H,4-5H2,1-2H3,(H2,9,11)
InChIKeyMFTNRFUKAQMMPZ-UHFFFAOYSA-N
XLogP0.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]but-2-enamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]but-2-enamide (CID 154464636) is 2-[cyclopropyl(methyl)amino]but-2-enamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]but-2-enamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]but-2-enamide is CC=C(C(N)=O)N(C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]but-2-enamide?
The InChIKey is MFTNRFUKAQMMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(8(9)11)10(2)6-4-5-6/h3,6H,4-5H2,1-2H3,(H2,9,11).
What are the key properties of 2-[cyclopropyl(methyl)amino]but-2-enamide?
2-[cyclopropyl(methyl)amino]but-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]but-2-enamide is sourced from PubChem (CID 154464636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).