(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide

C13H22N2O2 — CID 59593581

IUPAC(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide
SMILESCC/C=C\CC(=O)NCNC(=O)C/C=C\CC
InChIInChI=1S/C13H22N2O2/c1-3-5-7-9-12(16)14-11-15-13(17)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,14,16)(H,15,17)/b7-5-,8-6-
InChIKeySQBDTTHATXDPIV-SFECMWDFSA-N
MW238.33 g/mol
LogP1.89
Rot. Bonds8

About (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide

(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide (PubChem CID 59593581) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide.

Molecular Properties

Compound Name(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide
PubChem CID59593581
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide
SMILESCC/C=C\CC(=O)NCNC(=O)C/C=C\CC
InChIInChI=1S/C13H22N2O2/c1-3-5-7-9-12(16)14-11-15-13(17)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,14,16)(H,15,17)/b7-5-,8-6-
InChIKeySQBDTTHATXDPIV-SFECMWDFSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide?
The IUPAC name of (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide (CID 59593581) is (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide.
What is the SMILES notation for (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide?
The canonical SMILES for (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide is CC/C=C\CC(=O)NCNC(=O)C/C=C\CC.
What is the InChIKey of (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide?
The InChIKey is SQBDTTHATXDPIV-SFECMWDFSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-7-9-12(16)14-11-15-13(17)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,14,16)(H,15,17)/b7-5-,8-6-.
What are the key properties of (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide?
(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide is sourced from PubChem (CID 59593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).