4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one

C9H11ClN2O2 — CID 115100476

IUPAC4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one
SMILESO=C1CCNCCN1c1ccc(Cl)o1
InChIInChI=1S/C9H11ClN2O2/c10-7-1-2-9(14-7)12-6-5-11-4-3-8(12)13/h1-2,11H,3-6H2
InChIKeyAELZIQLYLBSCKF-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.26
Rot. Bonds1

About 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one

4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one (PubChem CID 115100476) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one
PubChem CID115100476
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one
SMILESO=C1CCNCCN1c1ccc(Cl)o1
InChIInChI=1S/C9H11ClN2O2/c10-7-1-2-9(14-7)12-6-5-11-4-3-8(12)13/h1-2,11H,3-6H2
InChIKeyAELZIQLYLBSCKF-UHFFFAOYSA-N
XLogP1.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chlorofuran-2-yl)-2-(trifluoromethyl)piperazine
CID 115101314
4-(5-Chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101436
1-(5-Chlorofuran-2-yl)-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101567
1-(5-Chlorofuran-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101699
1-(Furan-2-yl)-1,4-diazepane
CID 63949563
N-(5-chlorofuran-2-yl)piperazine-1-carboxamide
CID 69024726
N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide
CID 141040822
5-chloro-N-methylfuran-2-amine
CID 154964876
(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 115056761
4-(Furan-2-yl)-6-methyl-1,4-diazepan-5-one
CID 115100363
4-(5-Chlorofuran-2-yl)-6-methyl-1,4-diazepan-5-one
CID 115100365
4-(Furan-2-yl)-1,4-diazepan-5-one
CID 115100474

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one?
The IUPAC name of 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one (CID 115100476) is 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one is O=C1CCNCCN1c1ccc(Cl)o1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one?
The InChIKey is AELZIQLYLBSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-1-2-9(14-7)12-6-5-11-4-3-8(12)13/h1-2,11H,3-6H2.
What are the key properties of 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one?
4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one has a molecular weight of 214.65 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 115100476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).