7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one

C10H14N2O3 — CID 91109205

IUPAC7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one
SMILESO=C1CCCCC(n2c(O)ccc2O)N1
InChIInChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(11-8)12-9(14)5-6-10(12)15/h5-7,14-15H,1-4H2,(H,11,13)
InChIKeyXJDPIVJGMZRMHU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.09
Rot. Bonds1

About 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one

7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one (PubChem CID 91109205) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one.

Molecular Properties

Compound Name7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one
PubChem CID91109205
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one
SMILESO=C1CCCCC(n2c(O)ccc2O)N1
InChIInChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(11-8)12-9(14)5-6-10(12)15/h5-7,14-15H,1-4H2,(H,11,13)
InChIKeyXJDPIVJGMZRMHU-UHFFFAOYSA-N
XLogP1.09
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 54505583
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
6-(2,5-dihydroxypyrrol-1-yl)-6-oxo-N-prop-2-enoylhexanamide
CID 54249191
N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide
CID 57219028
N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide
CID 90715457
3-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 90822006
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
CID 90861012
(2,5-dihydroxypyrrol-1-yl) N-[(4S)-7-oxoazepan-4-yl]carbamate
CID 90948007
(2,5-dihydroxypyrrol-1-yl) N-[(4R)-7-oxoazepan-4-yl]carbamate
CID 91139985
6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
CID 91261605
4-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 91392783
3-[(2-Bromoacetyl)amino]-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 91594334

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one?
The IUPAC name of 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one (CID 91109205) is 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one.
What is the SMILES notation for 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one?
The canonical SMILES for 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one is O=C1CCCCC(n2c(O)ccc2O)N1.
What is the InChIKey of 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one?
The InChIKey is XJDPIVJGMZRMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(11-8)12-9(14)5-6-10(12)15/h5-7,14-15H,1-4H2,(H,11,13).
What are the key properties of 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one?
7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dihydroxypyrrol-1-yl)azepan-2-one is sourced from PubChem (CID 91109205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).