6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid

C11H16N2O4 — CID 90457556

IUPAC6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
SMILESO=C(O)NCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c14-9-5-6-10(15)13(9)8-4-2-1-3-7-12-11(16)17/h5-6,12H,1-4,7-8H2,(H,16,17)
InChIKeyQQBCGIFHOWMFQD-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.74
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid

6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid (PubChem CID 90457556) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
PubChem CID90457556
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
SMILESO=C(O)NCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c14-9-5-6-10(15)13(9)8-4-2-1-3-7-12-11(16)17/h5-6,12H,1-4,7-8H2,(H,16,17)
InChIKeyQQBCGIFHOWMFQD-UHFFFAOYSA-N
XLogP0.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide
CID 121327450
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
[diamino(chloro)methyl] N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
CID 145219096
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-[3,5-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamic acid
CID 66832214
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
2-[3,5-bis[2-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
CID 58986528
amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium
CID 139293013
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid (CID 90457556) is 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid is O=C(O)NCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid?
The InChIKey is QQBCGIFHOWMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-5-6-10(15)13(9)8-4-2-1-3-7-12-11(16)17/h5-6,12H,1-4,7-8H2,(H,16,17).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid?
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid has a molecular weight of 240.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid is sourced from PubChem (CID 90457556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).