1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C16H22N2O2 — CID 65362289

IUPAC1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESO=C1CNCc2ccccc2N1CCCC1CCCO1
InChIInChI=1S/C16H22N2O2/c19-16-12-17-11-13-5-1-2-8-15(13)18(16)9-3-6-14-7-4-10-20-14/h1-2,5,8,14,17H,3-4,6-7,9-12H2
InChIKeyLCWGMXGFNRJXRL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one

1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 65362289) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID65362289
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESO=C1CNCc2ccccc2N1CCCC1CCCO1
InChIInChI=1S/C16H22N2O2/c19-16-12-17-11-13-5-1-2-8-15(13)18(16)9-3-6-14-7-4-10-20-14/h1-2,5,8,14,17H,3-4,6-7,9-12H2
InChIKeyLCWGMXGFNRJXRL-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65166169
1-[3-(oxolan-2-yl)propyl]indole-2,3-dione
CID 65162625
3-methyl-1-[3-(oxolan-2-yl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908559
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495
1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103412197
3-(oxolan-2-yl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one;hydrochloride
CID 119521161
5-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 65170568
2-(2-fluorophenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249203
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
CID 77211492

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 65362289) is 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one is O=C1CNCc2ccccc2N1CCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is LCWGMXGFNRJXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16-12-17-11-13-5-1-2-8-15(13)18(16)9-3-6-14-7-4-10-20-14/h1-2,5,8,14,17H,3-4,6-7,9-12H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 65362289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).