N'-[(E)-prop-1-enyl]butanediamide

C7H12N2O2 — CID 89169529

IUPACN'-[(E)-prop-1-enyl]butanediamide
SMILESC/C=C/NC(=O)CCC(N)=O
InChIInChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h2,5H,3-4H2,1H3,(H2,8,10)(H,9,11)/b5-2+
InChIKeySJUVKXDDYGUHEZ-GORDUTHDSA-N
MW156.19 g/mol
LogP-0.10
Rot. Bonds4

About N'-[(E)-prop-1-enyl]butanediamide

N'-[(E)-prop-1-enyl]butanediamide (PubChem CID 89169529) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N'-[(E)-prop-1-enyl]butanediamide.

Molecular Properties

Compound NameN'-[(E)-prop-1-enyl]butanediamide
PubChem CID89169529
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN'-[(E)-prop-1-enyl]butanediamide
SMILESC/C=C/NC(=O)CCC(N)=O
InChIInChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h2,5H,3-4H2,1H3,(H2,8,10)(H,9,11)/b5-2+
InChIKeySJUVKXDDYGUHEZ-GORDUTHDSA-N
XLogP-0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-prop-1-enyl]butanediamide?
The IUPAC name of N'-[(E)-prop-1-enyl]butanediamide (CID 89169529) is N'-[(E)-prop-1-enyl]butanediamide.
What is the SMILES notation for N'-[(E)-prop-1-enyl]butanediamide?
The canonical SMILES for N'-[(E)-prop-1-enyl]butanediamide is C/C=C/NC(=O)CCC(N)=O.
What is the InChIKey of N'-[(E)-prop-1-enyl]butanediamide?
The InChIKey is SJUVKXDDYGUHEZ-GORDUTHDSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-5-9-7(11)4-3-6(8)10/h2,5H,3-4H2,1H3,(H2,8,10)(H,9,11)/b5-2+.
What are the key properties of N'-[(E)-prop-1-enyl]butanediamide?
N'-[(E)-prop-1-enyl]butanediamide has a molecular weight of 156.19 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-prop-1-enyl]butanediamide is sourced from PubChem (CID 89169529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).