N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide

C12H16N4O3 — CID 169487925

IUPACN-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide
SMILES[H]/N=C1C(=N/C(=O)C2CCCC2)/C(=O)N(C)C(=O)N/1C
InChIInChI=1S/C12H16N4O3/c1-15-9(13)8(11(18)16(2)12(15)19)14-10(17)7-5-3-4-6-7/h7,13H,3-6H2,1-2H3/b13-9-,14-8-
InChIKeyQRRKEITXNQFRAN-RDBXOABQSA-N
MW264.28 g/mol
LogP0.65
Rot. Bonds1

About N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide

N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide (PubChem CID 169487925) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide
PubChem CID169487925
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide
SMILES[H]/N=C1C(=N/C(=O)C2CCCC2)/C(=O)N(C)C(=O)N/1C
InChIInChI=1S/C12H16N4O3/c1-15-9(13)8(11(18)16(2)12(15)19)14-10(17)7-5-3-4-6-7/h7,13H,3-6H2,1-2H3/b13-9-,14-8-
InChIKeyQRRKEITXNQFRAN-RDBXOABQSA-N
XLogP0.65
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide?
The IUPAC name of N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide (CID 169487925) is N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide?
The canonical SMILES for N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide is [H]/N=C1C(=N/C(=O)C2CCCC2)/C(=O)N(C)C(=O)N/1C.
What is the InChIKey of N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide?
The InChIKey is QRRKEITXNQFRAN-RDBXOABQSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15-9(13)8(11(18)16(2)12(15)19)14-10(17)7-5-3-4-6-7/h7,13H,3-6H2,1-2H3/b13-9-,14-8-.
What are the key properties of N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide?
N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)cyclopentanecarboxamide is sourced from PubChem (CID 169487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).