2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide

C7H10N2O3 — CID 123823635

IUPAC2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide
SMILESC=C(C#N)C(=O)NCC(O)CO
InChIInChI=1S/C7H10N2O3/c1-5(2-8)7(12)9-3-6(11)4-10/h6,10-11H,1,3-4H2,(H,9,12)
InChIKeyPZLDKPJJWHXIMK-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.46
Rot. Bonds4

About 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide

2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide (PubChem CID 123823635) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide
PubChem CID123823635
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide
SMILESC=C(C#N)C(=O)NCC(O)CO
InChIInChI=1S/C7H10N2O3/c1-5(2-8)7(12)9-3-6(11)4-10/h6,10-11H,1,3-4H2,(H,9,12)
InChIKeyPZLDKPJJWHXIMK-UHFFFAOYSA-N
XLogP-1.46
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide (CID 123823635) is 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide is C=C(C#N)C(=O)NCC(O)CO.
What is the InChIKey of 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide?
The InChIKey is PZLDKPJJWHXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(2-8)7(12)9-3-6(11)4-10/h6,10-11H,1,3-4H2,(H,9,12).
What are the key properties of 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide?
2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide has a molecular weight of 170.17 g/mol, XLogP of -1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide is sourced from PubChem (CID 123823635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).