4-hydroxyazepane-2,3-dione

C6H9NO3 — CID 117273468

IUPAC4-hydroxyazepane-2,3-dione
SMILESO=C1NCCCC(O)C1=O
InChIInChI=1S/C6H9NO3/c8-4-2-1-3-7-6(10)5(4)9/h4,8H,1-3H2,(H,7,10)
InChIKeyDNOKFTQUBVUAEU-UHFFFAOYSA-N
MW143.14 g/mol
LogP-1.17
Rot. Bonds

About 4-hydroxyazepane-2,3-dione

4-hydroxyazepane-2,3-dione (PubChem CID 117273468) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-hydroxyazepane-2,3-dione.

Molecular Properties

Compound Name4-hydroxyazepane-2,3-dione
PubChem CID117273468
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-hydroxyazepane-2,3-dione
SMILESO=C1NCCCC(O)C1=O
InChIInChI=1S/C6H9NO3/c8-4-2-1-3-7-6(10)5(4)9/h4,8H,1-3H2,(H,7,10)
InChIKeyDNOKFTQUBVUAEU-UHFFFAOYSA-N
XLogP-1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
3-hydroxycyclodecane-1,2-dione
CID 130126471
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
4,6-dihydroxypiperidine-2,3-dione
CID 90948987
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744
3-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-ylidene]piperidin-2-one
CID 166445808
1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 83876182
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyazepane-2,3-dione?
The IUPAC name of 4-hydroxyazepane-2,3-dione (CID 117273468) is 4-hydroxyazepane-2,3-dione.
What is the SMILES notation for 4-hydroxyazepane-2,3-dione?
The canonical SMILES for 4-hydroxyazepane-2,3-dione is O=C1NCCCC(O)C1=O.
What is the InChIKey of 4-hydroxyazepane-2,3-dione?
The InChIKey is DNOKFTQUBVUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-2-1-3-7-6(10)5(4)9/h4,8H,1-3H2,(H,7,10).
What are the key properties of 4-hydroxyazepane-2,3-dione?
4-hydroxyazepane-2,3-dione has a molecular weight of 143.14 g/mol, XLogP of -1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyazepane-2,3-dione is sourced from PubChem (CID 117273468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).