2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one

C11H20N2O — CID 43794776

IUPAC2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one
SMILESCN1CCCN(C2CCCC2=O)CC1
InChIInChI=1S/C11H20N2O/c1-12-6-3-7-13(9-8-12)10-4-2-5-11(10)14/h10H,2-9H2,1H3
InChIKeyRHQSHADDWCIQDW-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.75
Rot. Bonds1

About 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one

2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one (PubChem CID 43794776) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one
PubChem CID43794776
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one
SMILESCN1CCCN(C2CCCC2=O)CC1
InChIInChI=1S/C11H20N2O/c1-12-6-3-7-13(9-8-12)10-4-2-5-11(10)14/h10H,2-9H2,1H3
InChIKeyRHQSHADDWCIQDW-UHFFFAOYSA-N
XLogP0.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one (CID 43794776) is 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one is CN1CCCN(C2CCCC2=O)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one?
The InChIKey is RHQSHADDWCIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-6-3-7-13(9-8-12)10-4-2-5-11(10)14/h10H,2-9H2,1H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one?
2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)cyclopentan-1-one is sourced from PubChem (CID 43794776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).