4-pentanoyl-1,4-diazepan-2-one

C10H18N2O2 — CID 62898703

IUPAC4-pentanoyl-1,4-diazepan-2-one
SMILESCCCCC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-2-3-5-10(14)12-7-4-6-11-9(13)8-12/h2-8H2,1H3,(H,11,13)
InChIKeyYLAOONRXQFMUHE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.53
Rot. Bonds3

About 4-pentanoyl-1,4-diazepan-2-one

4-pentanoyl-1,4-diazepan-2-one (PubChem CID 62898703) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-pentanoyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-pentanoyl-1,4-diazepan-2-one
PubChem CID62898703
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-pentanoyl-1,4-diazepan-2-one
SMILESCCCCC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-2-3-5-10(14)12-7-4-6-11-9(13)8-12/h2-8H2,1H3,(H,11,13)
InChIKeyYLAOONRXQFMUHE-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
CID 62897580
1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
CID 62897036
4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 82688047
4-(4-phenoxybutanoyl)-1,4-diazepan-2-one
CID 29257758
ethyl 3-oxo-1,4-diazepane-1-carboxylate
CID 62897975
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(3-aminobutanoyl)-1,4-diazepan-2-one
CID 65366461
4-(3-propoxypropanoyl)piperazin-2-one
CID 62848969
4-(2,2-dimethylbutanoyl)-1,4-diazepan-2-one
CID 62897191
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828

Frequently Asked Questions

What is the IUPAC name of 4-pentanoyl-1,4-diazepan-2-one?
The IUPAC name of 4-pentanoyl-1,4-diazepan-2-one (CID 62898703) is 4-pentanoyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-pentanoyl-1,4-diazepan-2-one?
The canonical SMILES for 4-pentanoyl-1,4-diazepan-2-one is CCCCC(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-pentanoyl-1,4-diazepan-2-one?
The InChIKey is YLAOONRXQFMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-5-10(14)12-7-4-6-11-9(13)8-12/h2-8H2,1H3,(H,11,13).
What are the key properties of 4-pentanoyl-1,4-diazepan-2-one?
4-pentanoyl-1,4-diazepan-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentanoyl-1,4-diazepan-2-one is sourced from PubChem (CID 62898703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).