N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide

C6H12N2O — CID 155137850

IUPACN-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide
SMILESCN/C=C(\C)NC(C)=O
InChIInChI=1S/C6H12N2O/c1-5(4-7-3)8-6(2)9/h4,7H,1-3H3,(H,8,9)/b5-4+
InChIKeyFMEDGQJWCPABLK-SNAWJCMRSA-N
MW128.17 g/mol
LogP0.20
Rot. Bonds2

About N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide

N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide (PubChem CID 155137850) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide
PubChem CID155137850
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide
SMILESCN/C=C(\C)NC(C)=O
InChIInChI=1S/C6H12N2O/c1-5(4-7-3)8-6(2)9/h4,7H,1-3H3,(H,8,9)/b5-4+
InChIKeyFMEDGQJWCPABLK-SNAWJCMRSA-N
XLogP0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide (CID 155137850) is N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide is CN/C=C(\C)NC(C)=O.
What is the InChIKey of N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide?
The InChIKey is FMEDGQJWCPABLK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(4-7-3)8-6(2)9/h4,7H,1-3H3,(H,8,9)/b5-4+.
What are the key properties of N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide?
N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide has a molecular weight of 128.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide is sourced from PubChem (CID 155137850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).