1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane

C10H15ClN2O — CID 115100659

IUPAC1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(c2ccc(Cl)o2)C1
InChIInChI=1S/C10H15ClN2O/c1-8-6-12-4-5-13(7-8)10-3-2-9(11)14-10/h2-3,8,12H,4-7H2,1H3
InChIKeyJWXRORVYBSUBFE-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.98
Rot. Bonds1

About 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane

1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane (PubChem CID 115100659) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane
PubChem CID115100659
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(c2ccc(Cl)o2)C1
InChIInChI=1S/C10H15ClN2O/c1-8-6-12-4-5-13(7-8)10-3-2-9(11)14-10/h2-3,8,12H,4-7H2,1H3
InChIKeyJWXRORVYBSUBFE-UHFFFAOYSA-N
XLogP1.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.98
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane?
The IUPAC name of 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane (CID 115100659) is 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane is CC1CNCCN(c2ccc(Cl)o2)C1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane?
The InChIKey is JWXRORVYBSUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8-6-12-4-5-13(7-8)10-3-2-9(11)14-10/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane?
1-(5-chlorofuran-2-yl)-6-methyl-1,4-diazepane has a molecular weight of 214.70 g/mol, XLogP of 1.98, 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)-6-methyl-1,4-diazepane is sourced from PubChem (CID 115100659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).