2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone

C12H20N2O2 — CID 102651085

IUPAC2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone
SMILESCN1CCCN(C)C(C(=O)C2=CCCO2)C1
InChIInChI=1S/C12H20N2O2/c1-13-6-4-7-14(2)10(9-13)12(15)11-5-3-8-16-11/h5,10H,3-4,6-9H2,1-2H3
InChIKeyNRYINMRBFBDDRB-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.50
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone

2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone (PubChem CID 102651085) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone
PubChem CID102651085
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone
SMILESCN1CCCN(C)C(C(=O)C2=CCCO2)C1
InChIInChI=1S/C12H20N2O2/c1-13-6-4-7-14(2)10(9-13)12(15)11-5-3-8-16-11/h5,10H,3-4,6-9H2,1-2H3
InChIKeyNRYINMRBFBDDRB-UHFFFAOYSA-N
XLogP0.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone (CID 102651085) is 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone is CN1CCCN(C)C(C(=O)C2=CCCO2)C1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
The InChIKey is NRYINMRBFBDDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-6-4-7-14(2)10(9-13)12(15)11-5-3-8-16-11/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone?
2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanone is sourced from PubChem (CID 102651085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).