2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide

C13H18N4O2 — CID 142470352

IUPAC2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide
SMILESCC(C)C(=O)N/C1=C\CCCc2[nH]cnc2C(=O)N1
InChIInChI=1S/C13H18N4O2/c1-8(2)12(18)16-10-6-4-3-5-9-11(13(19)17-10)15-7-14-9/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,18)(H,17,19)/b10-6+
InChIKeyZJRBCLDDEWGWGR-UXBLZVDNSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds2

About 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide

2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide (PubChem CID 142470352) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide
PubChem CID142470352
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide
SMILESCC(C)C(=O)N/C1=C\CCCc2[nH]cnc2C(=O)N1
InChIInChI=1S/C13H18N4O2/c1-8(2)12(18)16-10-6-4-3-5-9-11(13(19)17-10)15-7-14-9/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,18)(H,17,19)/b10-6+
InChIKeyZJRBCLDDEWGWGR-UXBLZVDNSA-N
XLogP1.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide?
The IUPAC name of 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide (CID 142470352) is 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide is CC(C)C(=O)N/C1=C\CCCc2[nH]cnc2C(=O)N1.
What is the InChIKey of 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide?
The InChIKey is ZJRBCLDDEWGWGR-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)12(18)16-10-6-4-3-5-9-11(13(19)17-10)15-7-14-9/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,18)(H,17,19)/b10-6+.
What are the key properties of 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide?
2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6E)-4-oxo-5,8,9,10-tetrahydro-1H-imidazo[4,5-c]azonin-6-yl]propanamide is sourced from PubChem (CID 142470352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).