N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide

C7H14N2O — CID 18325542

IUPACN-methyl-N-[1-(methylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)C(C)NC
InChIInChI=1S/C7H14N2O/c1-5-7(10)9(4)6(2)8-3/h5-6,8H,1H2,2-4H3
InChIKeyDDOJBDVRLKYQNI-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.20
Rot. Bonds3

About N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide

N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide (PubChem CID 18325542) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[1-(methylamino)ethyl]prop-2-enamide
PubChem CID18325542
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-methyl-N-[1-(methylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)C(C)NC
InChIInChI=1S/C7H14N2O/c1-5-7(10)9(4)6(2)8-3/h5-6,8H,1H2,2-4H3
InChIKeyDDOJBDVRLKYQNI-UHFFFAOYSA-N
XLogP0.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide (CID 18325542) is N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide is C=CC(=O)N(C)C(C)NC.
What is the InChIKey of N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide?
The InChIKey is DDOJBDVRLKYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-7(10)9(4)6(2)8-3/h5-6,8H,1H2,2-4H3.
What are the key properties of N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide?
N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 18325542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).