(E)-N,N'-dipropylbut-2-enediamide

C10H18N2O2 — CID 6083413

IUPAC(E)-N,N'-dipropylbut-2-enediamide
SMILESCCCNC(=O)/C=C/C(=O)NCCC
InChIInChI=1S/C10H18N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyLGGLBESHUDPAEE-AATRIKPKSA-N
MW198.27 g/mol
LogP0.60
Rot. Bonds6

About (E)-N,N'-dipropylbut-2-enediamide

(E)-N,N'-dipropylbut-2-enediamide (PubChem CID 6083413) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-N,N'-dipropylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-dipropylbut-2-enediamide
PubChem CID6083413
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-N,N'-dipropylbut-2-enediamide
SMILESCCCNC(=O)/C=C/C(=O)NCCC
InChIInChI=1S/C10H18N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyLGGLBESHUDPAEE-AATRIKPKSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dipropylbut-2-enediamide?
The IUPAC name of (E)-N,N'-dipropylbut-2-enediamide (CID 6083413) is (E)-N,N'-dipropylbut-2-enediamide.
What is the SMILES notation for (E)-N,N'-dipropylbut-2-enediamide?
The canonical SMILES for (E)-N,N'-dipropylbut-2-enediamide is CCCNC(=O)/C=C/C(=O)NCCC.
What is the InChIKey of (E)-N,N'-dipropylbut-2-enediamide?
The InChIKey is LGGLBESHUDPAEE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+.
What are the key properties of (E)-N,N'-dipropylbut-2-enediamide?
(E)-N,N'-dipropylbut-2-enediamide has a molecular weight of 198.27 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dipropylbut-2-enediamide is sourced from PubChem (CID 6083413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).