(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide

C8H14N2O — CID 143480404

IUPAC(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide
SMILESC/C=C(\C=C/CNC)C(N)=O
InChIInChI=1S/C8H14N2O/c1-3-7(8(9)11)5-4-6-10-2/h3-5,10H,6H2,1-2H3,(H2,9,11)/b5-4-,7-3+
InChIKeyUBGMJOLFLRUPQI-SBYNAHCQSA-N
MW154.21 g/mol
LogP0.19
Rot. Bonds4

About (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide

(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide (PubChem CID 143480404) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide
PubChem CID143480404
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide
SMILESC/C=C(\C=C/CNC)C(N)=O
InChIInChI=1S/C8H14N2O/c1-3-7(8(9)11)5-4-6-10-2/h3-5,10H,6H2,1-2H3,(H2,9,11)/b5-4-,7-3+
InChIKeyUBGMJOLFLRUPQI-SBYNAHCQSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(methylamino)but-2-enoic acid
CID 148708866
4-(methylamino)but-2-enoyl chloride
CID 123775248
(E)-4-(methylamino)but-2-enamide;2,2,2-trifluoroacetic acid
CID 170912285
(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
CID 166872953
(E)-5,5-dimethyl-1-(methylamino)hept-2-en-4-one;ethane
CID 145078658
phenacyl 4-(methylamino)but-2-enoate
CID 141055627
5-(methylamino)pent-2-enamide
CID 90151348
(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
CID 118029945
(E)-1-(3,3-dimethylazetidin-1-yl)-4-(methylamino)but-2-en-1-one
CID 171821761
[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea
CID 171540295
2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
CID 140757697
N-methylprop-2-en-1-amine;prop-2-enamide
CID 175303196

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide?
The IUPAC name of (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide (CID 143480404) is (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide?
The canonical SMILES for (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide is C/C=C(\C=C/CNC)C(N)=O.
What is the InChIKey of (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide?
The InChIKey is UBGMJOLFLRUPQI-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(8(9)11)5-4-6-10-2/h3-5,10H,6H2,1-2H3,(H2,9,11)/b5-4-,7-3+.
What are the key properties of (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide?
(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide is sourced from PubChem (CID 143480404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).