3-(1,4-diazepan-1-yl)cyclopentan-1-one

C10H18N2O — CID 79642453

IUPAC3-(1,4-diazepan-1-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCCNCC2)C1
InChIInChI=1S/C10H18N2O/c13-10-3-2-9(8-10)12-6-1-4-11-5-7-12/h9,11H,1-8H2
InChIKeySBBQQSSNWVGCDX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.40
Rot. Bonds1

About 3-(1,4-diazepan-1-yl)cyclopentan-1-one

3-(1,4-diazepan-1-yl)cyclopentan-1-one (PubChem CID 79642453) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1,4-diazepan-1-yl)cyclopentan-1-one
PubChem CID79642453
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(1,4-diazepan-1-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCCNCC2)C1
InChIInChI=1S/C10H18N2O/c13-10-3-2-9(8-10)12-6-1-4-11-5-7-12/h9,11H,1-8H2
InChIKeySBBQQSSNWVGCDX-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-yl)cyclopentan-1-one?
The IUPAC name of 3-(1,4-diazepan-1-yl)cyclopentan-1-one (CID 79642453) is 3-(1,4-diazepan-1-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(1,4-diazepan-1-yl)cyclopentan-1-one?
The canonical SMILES for 3-(1,4-diazepan-1-yl)cyclopentan-1-one is O=C1CCC(N2CCCNCC2)C1.
What is the InChIKey of 3-(1,4-diazepan-1-yl)cyclopentan-1-one?
The InChIKey is SBBQQSSNWVGCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-10-3-2-9(8-10)12-6-1-4-11-5-7-12/h9,11H,1-8H2.
What are the key properties of 3-(1,4-diazepan-1-yl)cyclopentan-1-one?
3-(1,4-diazepan-1-yl)cyclopentan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-yl)cyclopentan-1-one is sourced from PubChem (CID 79642453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).