1,4-diazepan-1-yl(furan-3-yl)methanone

C10H14N2O2 — CID 16772381

IUPAC1,4-diazepan-1-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCNCC1
InChIInChI=1S/C10H14N2O2/c13-10(9-2-7-14-8-9)12-5-1-3-11-4-6-12/h2,7-8,11H,1,3-6H2
InChIKeyHVPYRRBZJNYSJM-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.72
Rot. Bonds1

About 1,4-diazepan-1-yl(furan-3-yl)methanone

1,4-diazepan-1-yl(furan-3-yl)methanone (PubChem CID 16772381) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(furan-3-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(furan-3-yl)methanone
PubChem CID16772381
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1,4-diazepan-1-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCNCC1
InChIInChI=1S/C10H14N2O2/c13-10(9-2-7-14-8-9)12-5-1-3-11-4-6-12/h2,7-8,11H,1,3-6H2
InChIKeyHVPYRRBZJNYSJM-UHFFFAOYSA-N
XLogP0.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(furan-3-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(furan-3-yl)methanone (CID 16772381) is 1,4-diazepan-1-yl(furan-3-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(furan-3-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(furan-3-yl)methanone?
The InChIKey is HVPYRRBZJNYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(9-2-7-14-8-9)12-5-1-3-11-4-6-12/h2,7-8,11H,1,3-6H2.
What are the key properties of 1,4-diazepan-1-yl(furan-3-yl)methanone?
1,4-diazepan-1-yl(furan-3-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(furan-3-yl)methanone is sourced from PubChem (CID 16772381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).