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

C6H12N2O — CID 18325503

IUPACN-[2-(methylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC
InChIInChI=1S/C6H12N2O/c1-3-6(9)8-5-4-7-2/h3,7H,1,4-5H2,2H3,(H,8,9)
InChIKeyFZGONJFXUHURTC-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.49
Rot. Bonds4

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

N-[2-(methylamino)ethyl]prop-2-enamide (PubChem CID 18325503) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]prop-2-enamide
PubChem CID18325503
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[2-(methylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC
InChIInChI=1S/C6H12N2O/c1-3-6(9)8-5-4-7-2/h3,7H,1,4-5H2,2H3,(H,8,9)
InChIKeyFZGONJFXUHURTC-UHFFFAOYSA-N
XLogP-0.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Isopropylacrylamide
CID 16637
N-Allylacetamide
CID 69653
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
Allylacrylamide
CID 95149
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-(2-Amino-2-oxoethyl)acrylamide
CID 20038864
N-(2-Aminoethyl)acrylamide hydrochloride
CID 21939126

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(methylamino)ethyl]prop-2-enamide (CID 18325503) is N-[2-(methylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(methylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNC.
What is the InChIKey of N-[2-(methylamino)ethyl]prop-2-enamide?
The InChIKey is FZGONJFXUHURTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-6(9)8-5-4-7-2/h3,7H,1,4-5H2,2H3,(H,8,9).
What are the key properties of N-[2-(methylamino)ethyl]prop-2-enamide?
N-[2-(methylamino)ethyl]prop-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 18325503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).