N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide

C8H12N2O2 — CID 22480638

IUPACN-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCN)C(=O)C=C
InChIInChI=1S/C8H12N2O2/c1-3-7(11)10(6-5-9)8(12)4-2/h3-4H,1-2,5-6,9H2
InChIKeyBMMKGFHYBJRLBH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.33
Rot. Bonds4

About N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide

N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide (PubChem CID 22480638) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide
PubChem CID22480638
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCN)C(=O)C=C
InChIInChI=1S/C8H12N2O2/c1-3-7(11)10(6-5-9)8(12)4-2/h3-4H,1-2,5-6,9H2
InChIKeyBMMKGFHYBJRLBH-UHFFFAOYSA-N
XLogP-0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide (CID 22480638) is N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCN)C(=O)C=C.
What is the InChIKey of N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide?
The InChIKey is BMMKGFHYBJRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7(11)10(6-5-9)8(12)4-2/h3-4H,1-2,5-6,9H2.
What are the key properties of N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide?
N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 22480638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).