1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one

C11H18N2O3 — CID 62045065

IUPAC1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)CC2CCCO2)CCN1
InChIInChI=1S/C11H18N2O3/c14-10-3-5-13(6-4-12-10)11(15)8-9-2-1-7-16-9/h9H,1-8H2,(H,12,14)
InChIKeyFLVMQDVFPSCWBE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds2

About 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one

1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one (PubChem CID 62045065) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
PubChem CID62045065
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)CC2CCCO2)CCN1
InChIInChI=1S/C11H18N2O3/c14-10-3-5-13(6-4-12-10)11(15)8-9-2-1-7-16-9/h9H,1-8H2,(H,12,14)
InChIKeyFLVMQDVFPSCWBE-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
CID 60707955
8-[2-(oxolan-2-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47211168
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434305
1-[(2S,3S)-2-phenyloxane-3-carbonyl]-1,4-diazepan-5-one
CID 95589815
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
7-[2-(oxolan-2-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996141
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one (CID 62045065) is 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one is O=C1CCN(C(=O)CC2CCCO2)CCN1.
What is the InChIKey of 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one?
The InChIKey is FLVMQDVFPSCWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10-3-5-13(6-4-12-10)11(15)8-9-2-1-7-16-9/h9H,1-8H2,(H,12,14).
What are the key properties of 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one?
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one has a molecular weight of 226.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one is sourced from PubChem (CID 62045065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).