2-cyano-3-propoxyprop-2-enamide

C7H10N2O2 — CID 162352552

IUPAC2-cyano-3-propoxyprop-2-enamide
SMILESCCCOC=C(C#N)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-2-3-11-5-6(4-8)7(9)10/h5H,2-3H2,1H3,(H2,9,10)
InChIKeyRUCRVYBPMJNTSU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.31
Rot. Bonds4

About 2-cyano-3-propoxyprop-2-enamide

2-cyano-3-propoxyprop-2-enamide (PubChem CID 162352552) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-cyano-3-propoxyprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-propoxyprop-2-enamide
PubChem CID162352552
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-cyano-3-propoxyprop-2-enamide
SMILESCCCOC=C(C#N)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-2-3-11-5-6(4-8)7(9)10/h5H,2-3H2,1H3,(H2,9,10)
InChIKeyRUCRVYBPMJNTSU-UHFFFAOYSA-N
XLogP0.31
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-ethoxyprop-2-enamide
CID 3034578
butyl 3-butoxy-2-cyanoprop-2-enoate
CID 86112544
(E)-2-cyanobut-2-enamide
CID 88621085
(E)-2-cyano-3-ethoxyprop-2-enethioamide
CID 88918935
(2E)-2-(ethoxymethylidene)-3-oxopentanenitrile
CID 120999899
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide
CID 2364639
2-cyano-3-hydroxyprop-2-enamide
CID 3286231
(Z)-2-cyano-3-hydroxyprop-2-enamide
CID 45050446
butyl (E)-2-cyano-3-methoxyprop-2-enoate
CID 22266564
2,3-dicyanoprop-2-enamide
CID 173308718
(E)-N,N-dibutyl-2-cyano-3-ethoxyprop-2-enamide
CID 21344755

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-propoxyprop-2-enamide?
The IUPAC name of 2-cyano-3-propoxyprop-2-enamide (CID 162352552) is 2-cyano-3-propoxyprop-2-enamide.
What is the SMILES notation for 2-cyano-3-propoxyprop-2-enamide?
The canonical SMILES for 2-cyano-3-propoxyprop-2-enamide is CCCOC=C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-3-propoxyprop-2-enamide?
The InChIKey is RUCRVYBPMJNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-11-5-6(4-8)7(9)10/h5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 2-cyano-3-propoxyprop-2-enamide?
2-cyano-3-propoxyprop-2-enamide has a molecular weight of 154.17 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-propoxyprop-2-enamide is sourced from PubChem (CID 162352552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).