6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide

C10H17N3O3 — CID 54078590

IUPAC6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1c(O)ccc1O
InChIInChI=1S/C10H17N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6,15-16H,1-4,7,11H2,(H,12,14)
InChIKeyMLLUMWGJTXOSFW-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.45
Rot. Bonds6

About 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide

6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide (PubChem CID 54078590) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide
PubChem CID54078590
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1c(O)ccc1O
InChIInChI=1S/C10H17N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6,15-16H,1-4,7,11H2,(H,12,14)
InChIKeyMLLUMWGJTXOSFW-UHFFFAOYSA-N
XLogP0.45
TPSA100.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 53928477
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
N'-(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 54082843
6-(2,5-Dihydroxypyrrol-1-yl)hexanal
CID 54155419
1-(5-Isocyanatopentyl)pyrrole-2,5-diol
CID 54242631
6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
CID 54249191
1-(12-Aminododecyl)pyrrole-2,5-diol
CID 54276979
3-(2,5-Dihydroxypyrrol-1-yl)propanamide
CID 54572257
1-[6-(2,5-Dihydroxypyrrol-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 57074307
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
CID 90861012
1-[2-(2,5-Dihydroxypyrrol-1-yl)ethylamino]azepane-2,5-dione
CID 91067701
1-(2,5-Dihydroxypyrrol-1-yl)hexan-1-one
CID 91195473

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide?
The IUPAC name of 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide (CID 54078590) is 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide?
The canonical SMILES for 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide is NNC(=O)CCCCCn1c(O)ccc1O.
What is the InChIKey of 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide?
The InChIKey is MLLUMWGJTXOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6,15-16H,1-4,7,11H2,(H,12,14).
What are the key properties of 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide?
6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide has a molecular weight of 227.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxypyrrol-1-yl)hexanehydrazide is sourced from PubChem (CID 54078590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).