(Z,2E)-2-(2-iminoethylidene)pent-3-enamide

C7H10N2O — CID 118220420

IUPAC(Z,2E)-2-(2-iminoethylidene)pent-3-enamide
SMILES[H]/N=C/C=C(\C=C/C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-2-3-6(4-5-8)7(9)10/h2-5,8H,1H3,(H2,9,10)/b3-2-,6-4+,8-5+
InChIKeyDJFDTFFDZIBWGT-PDDMAJEVSA-N
MW138.17 g/mol
LogP0.62
Rot. Bonds3

About (Z,2E)-2-(2-iminoethylidene)pent-3-enamide

(Z,2E)-2-(2-iminoethylidene)pent-3-enamide (PubChem CID 118220420) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (Z,2E)-2-(2-iminoethylidene)pent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-(2-iminoethylidene)pent-3-enamide
PubChem CID118220420
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(Z,2E)-2-(2-iminoethylidene)pent-3-enamide
SMILES[H]/N=C/C=C(\C=C/C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-2-3-6(4-5-8)7(9)10/h2-5,8H,1H3,(H2,9,10)/b3-2-,6-4+,8-5+
InChIKeyDJFDTFFDZIBWGT-PDDMAJEVSA-N
XLogP0.62
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,2E)-2-(2-iminoethylidene)pent-3-enoyl fluoride
CID 142006424
3-Ethylidenepyridin-2-one
CID 76827562
(Z,2E)-2-ethylidene-5-iminohex-3-enamide
CID 87419522
1-Azoniacyclohepta-1,3,5,7-tetraene-4-carboxamide
CID 87880044
(2E)-2-methanimidoyl-4-methylhexa-2,5-dienamide
CID 91348990
3-Ethenyl-5-iminopent-3-en-2-one
CID 91370659
(E)-2-ethenyl-4-imino-N-methylbut-2-enamide
CID 117901007
(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide
CID 118070568
(3E,5Z)-7-imino-3-methylhepta-3,5-dien-2-one
CID 118500797
(2E,4Z)-2-[(E)-hydroxyiminomethyl]-4-methylhexa-2,4-dienamide
CID 118615821
(2E,4Z)-2-methanimidoylhexa-2,4-dienamide
CID 121440639
(E,3E)-3-(2-iminoethylidene)hex-4-en-2-one
CID 121486290

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(2-iminoethylidene)pent-3-enamide?
The IUPAC name of (Z,2E)-2-(2-iminoethylidene)pent-3-enamide (CID 118220420) is (Z,2E)-2-(2-iminoethylidene)pent-3-enamide.
What is the SMILES notation for (Z,2E)-2-(2-iminoethylidene)pent-3-enamide?
The canonical SMILES for (Z,2E)-2-(2-iminoethylidene)pent-3-enamide is [H]/N=C/C=C(\C=C/C)C(N)=O.
What is the InChIKey of (Z,2E)-2-(2-iminoethylidene)pent-3-enamide?
The InChIKey is DJFDTFFDZIBWGT-PDDMAJEVSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6(4-5-8)7(9)10/h2-5,8H,1H3,(H2,9,10)/b3-2-,6-4+,8-5+.
What are the key properties of (Z,2E)-2-(2-iminoethylidene)pent-3-enamide?
(Z,2E)-2-(2-iminoethylidene)pent-3-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(2-iminoethylidene)pent-3-enamide is sourced from PubChem (CID 118220420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).