1-(5-chlorofuran-2-yl)-1,4-diazepane

C9H13ClN2O — CID 115100707

IUPAC1-(5-chlorofuran-2-yl)-1,4-diazepane
SMILESClc1ccc(N2CCCNCC2)o1
InChIInChI=1S/C9H13ClN2O/c10-8-2-3-9(13-8)12-6-1-4-11-5-7-12/h2-3,11H,1,4-7H2
InChIKeySCTNMMIUBRUFEP-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.73
Rot. Bonds1

About 1-(5-chlorofuran-2-yl)-1,4-diazepane

1-(5-chlorofuran-2-yl)-1,4-diazepane (PubChem CID 115100707) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-1,4-diazepane
PubChem CID115100707
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(5-chlorofuran-2-yl)-1,4-diazepane
SMILESClc1ccc(N2CCCNCC2)o1
InChIInChI=1S/C9H13ClN2O/c10-8-2-3-9(13-8)12-6-1-4-11-5-7-12/h2-3,11H,1,4-7H2
InChIKeySCTNMMIUBRUFEP-UHFFFAOYSA-N
XLogP1.73
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.73
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
Ethane;1-(furan-2-yl)-1,4-diazepane
CID 144348409
5-chloro-N-methylfuran-2-amine
CID 154964876
N-tert-butyl-5-chlorofuran-2-amine
CID 167370683
(5S)-5-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 115056761
4-(5-Chlorofuran-2-yl)-6-methyl-1,4-diazepan-5-one
CID 115100365

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-1,4-diazepane?
The IUPAC name of 1-(5-chlorofuran-2-yl)-1,4-diazepane (CID 115100707) is 1-(5-chlorofuran-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-1,4-diazepane is Clc1ccc(N2CCCNCC2)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-1,4-diazepane?
The InChIKey is SCTNMMIUBRUFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-8-2-3-9(13-8)12-6-1-4-11-5-7-12/h2-3,11H,1,4-7H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-1,4-diazepane?
1-(5-chlorofuran-2-yl)-1,4-diazepane has a molecular weight of 200.67 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-1,4-diazepane is sourced from PubChem (CID 115100707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).