4-cyclopentyl-1,4-diazepan-2-one

C10H18N2O — CID 117005235

IUPAC4-cyclopentyl-1,4-diazepan-2-one
SMILESO=C1CN(C2CCCC2)CCCN1
InChIInChI=1S/C10H18N2O/c13-10-8-12(7-3-6-11-10)9-4-1-2-5-9/h9H,1-8H2,(H,11,13)
InChIKeyAHXSPFQJFIJNFG-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds1

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

4-cyclopentyl-1,4-diazepan-2-one (PubChem CID 117005235) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-cyclopentyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-1,4-diazepan-2-one
PubChem CID117005235
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-cyclopentyl-1,4-diazepan-2-one
SMILESO=C1CN(C2CCCC2)CCCN1
InChIInChI=1S/C10H18N2O/c13-10-8-12(7-3-6-11-10)9-4-1-2-5-9/h9H,1-8H2,(H,11,13)
InChIKeyAHXSPFQJFIJNFG-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1,4-diazepan-2-one?
The IUPAC name of 4-cyclopentyl-1,4-diazepan-2-one (CID 117005235) is 4-cyclopentyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-cyclopentyl-1,4-diazepan-2-one?
The canonical SMILES for 4-cyclopentyl-1,4-diazepan-2-one is O=C1CN(C2CCCC2)CCCN1.
What is the InChIKey of 4-cyclopentyl-1,4-diazepan-2-one?
The InChIKey is AHXSPFQJFIJNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-10-8-12(7-3-6-11-10)9-4-1-2-5-9/h9H,1-8H2,(H,11,13).
What are the key properties of 4-cyclopentyl-1,4-diazepan-2-one?
4-cyclopentyl-1,4-diazepan-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1,4-diazepan-2-one is sourced from PubChem (CID 117005235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).