2-cyanoprop-2-enoic acid;N-methylmethanamine

C6H10N2O2 — CID 21218802

IUPAC2-cyanoprop-2-enoic acid;N-methylmethanamine
SMILESC=C(C#N)C(=O)O.CNC
InChIInChI=1S/C4H3NO2.C2H7N/c1-3(2-5)4(6)7;1-3-2/h1H2,(H,6,7);3H,1-2H3
InChIKeyZCKQTDLWNIHBTE-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.01
Rot. Bonds1

About 2-cyanoprop-2-enoic acid;N-methylmethanamine

2-cyanoprop-2-enoic acid;N-methylmethanamine (PubChem CID 21218802) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-cyanoprop-2-enoic acid;N-methylmethanamine.

Molecular Properties

Compound Name2-cyanoprop-2-enoic acid;N-methylmethanamine
PubChem CID21218802
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-cyanoprop-2-enoic acid;N-methylmethanamine
SMILESC=C(C#N)C(=O)O.CNC
InChIInChI=1S/C4H3NO2.C2H7N/c1-3(2-5)4(6)7;1-3-2/h1H2,(H,6,7);3H,1-2H3
InChIKeyZCKQTDLWNIHBTE-UHFFFAOYSA-N
XLogP-0.01
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoprop-2-enoic acid;N-methylmethanamine?
The IUPAC name of 2-cyanoprop-2-enoic acid;N-methylmethanamine (CID 21218802) is 2-cyanoprop-2-enoic acid;N-methylmethanamine.
What is the SMILES notation for 2-cyanoprop-2-enoic acid;N-methylmethanamine?
The canonical SMILES for 2-cyanoprop-2-enoic acid;N-methylmethanamine is C=C(C#N)C(=O)O.CNC.
What is the InChIKey of 2-cyanoprop-2-enoic acid;N-methylmethanamine?
The InChIKey is ZCKQTDLWNIHBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C2H7N/c1-3(2-5)4(6)7;1-3-2/h1H2,(H,6,7);3H,1-2H3.
What are the key properties of 2-cyanoprop-2-enoic acid;N-methylmethanamine?
2-cyanoprop-2-enoic acid;N-methylmethanamine has a molecular weight of 142.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoprop-2-enoic acid;N-methylmethanamine is sourced from PubChem (CID 21218802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).