2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone

C11H18N2O2 — CID 130579654

IUPAC2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
SMILESO=C(CN1CCCNCC1)C1=COCC1
InChIInChI=1S/C11H18N2O2/c14-11(10-2-7-15-9-10)8-13-5-1-3-12-4-6-13/h9,12H,1-8H2
InChIKeyGCYIMSIRAFQYNT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.16
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone

2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone (PubChem CID 130579654) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
PubChem CID130579654
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
SMILESO=C(CN1CCCNCC1)C1=COCC1
InChIInChI=1S/C11H18N2O2/c14-11(10-2-7-15-9-10)8-13-5-1-3-12-4-6-13/h9,12H,1-8H2
InChIKeyGCYIMSIRAFQYNT-UHFFFAOYSA-N
XLogP0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone
CID 116559609
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-(1,4-diazepan-1-yl)-1-thiophen-2-ylethanone;hydrochloride
CID 71645016
2-(1,4-diazepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 60710450
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 62838358
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
The IUPAC name of 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone (CID 130579654) is 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone is O=C(CN1CCCNCC1)C1=COCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
The InChIKey is GCYIMSIRAFQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11(10-2-7-15-9-10)8-13-5-1-3-12-4-6-13/h9,12H,1-8H2.
What are the key properties of 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone?
2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone is sourced from PubChem (CID 130579654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).