1-(methylamino)prop-1-en-2-olate

C4H8NO- — CID 25201787

IUPAC1-(methylamino)prop-1-en-2-olate
SMILESCNC=C(C)[O-]
InChIInChI=1S/C4H9NO/c1-4(6)3-5-2/h3,5-6H,1-2H3/p-1
InChIKeyDQKLOUYSVXGLPC-UHFFFAOYSA-M
MW86.11 g/mol
LogP-0.57
Rot. Bonds1

About 1-(methylamino)prop-1-en-2-olate

1-(methylamino)prop-1-en-2-olate (PubChem CID 25201787) has the molecular formula C4H8NO- and a molecular weight of 86.11 g/mol. Its IUPAC name is 1-(methylamino)prop-1-en-2-olate.

Molecular Properties

Compound Name1-(methylamino)prop-1-en-2-olate
PubChem CID25201787
Molecular FormulaC4H8NO-
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name1-(methylamino)prop-1-en-2-olate
SMILESCNC=C(C)[O-]
InChIInChI=1S/C4H9NO/c1-4(6)3-5-2/h3,5-6H,1-2H3/p-1
InChIKeyDQKLOUYSVXGLPC-UHFFFAOYSA-M
XLogP-0.57
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)prop-1-en-2-olate?
The IUPAC name of 1-(methylamino)prop-1-en-2-olate (CID 25201787) is 1-(methylamino)prop-1-en-2-olate.
What is the SMILES notation for 1-(methylamino)prop-1-en-2-olate?
The canonical SMILES for 1-(methylamino)prop-1-en-2-olate is CNC=C(C)[O-].
What is the InChIKey of 1-(methylamino)prop-1-en-2-olate?
The InChIKey is DQKLOUYSVXGLPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO/c1-4(6)3-5-2/h3,5-6H,1-2H3/p-1.
What are the key properties of 1-(methylamino)prop-1-en-2-olate?
1-(methylamino)prop-1-en-2-olate has a molecular weight of 86.11 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)prop-1-en-2-olate is sourced from PubChem (CID 25201787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).