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

C10H14N2O2 — CID 115101870

IUPAC1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
SMILESCc1ccc(N2CCCNCC2=O)o1
InChIInChI=1S/C10H14N2O2/c1-8-3-4-10(14-8)12-6-2-5-11-7-9(12)13/h3-4,11H,2,5-7H2,1H3
InChIKeyQRHVQEWWOKIVPC-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.91
Rot. Bonds1

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

1-(5-methylfuran-2-yl)-1,4-diazepan-2-one (PubChem CID 115101870) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
PubChem CID115101870
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
SMILESCc1ccc(N2CCCNCC2=O)o1
InChIInChI=1S/C10H14N2O2/c1-8-3-4-10(14-8)12-6-2-5-11-7-9(12)13/h3-4,11H,2,5-7H2,1H3
InChIKeyQRHVQEWWOKIVPC-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-1,4-diazepan-2-one
CID 82282881
1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one
CID 115101874
1-phenyl-1,4-diazepan-2-one
CID 69457460
1-(4-methoxyphenyl)-1,4-diazocan-2-one
CID 117016195
1-(2,4-dimethylphenyl)-1,4-diazocan-2-one
CID 117016162
1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
CID 117016200
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
1-(6-iodo-3-pyridinyl)-1,4-diazepan-2-one
CID 134405874
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one
CID 129009412
1-(5-chloro-2-methoxyphenyl)-1,4-diazocan-2-one
CID 117016190

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one?
The IUPAC name of 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one (CID 115101870) is 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one is Cc1ccc(N2CCCNCC2=O)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one?
The InChIKey is QRHVQEWWOKIVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-3-4-10(14-8)12-6-2-5-11-7-9(12)13/h3-4,11H,2,5-7H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one?
1-(5-methylfuran-2-yl)-1,4-diazepan-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 115101870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).