3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione

C15H24N2O3 — CID 103142051

IUPAC3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1CCC(CN2C(=O)C(C3CC3)NC(=O)CC2C)O1
InChIInChI=1S/C15H24N2O3/c1-9-7-13(18)16-14(11-4-5-11)15(19)17(9)8-12-6-3-10(2)20-12/h9-12,14H,3-8H2,1-2H3,(H,16,18)
InChIKeyDPBBRRVNPPJMRE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds3

About 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione

3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 103142051) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID103142051
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1CCC(CN2C(=O)C(C3CC3)NC(=O)CC2C)O1
InChIInChI=1S/C15H24N2O3/c1-9-7-13(18)16-14(11-4-5-11)15(19)17(9)8-12-6-3-10(2)20-12/h9-12,14H,3-8H2,1-2H3,(H,16,18)
InChIKeyDPBBRRVNPPJMRE-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 103142016
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
9-methyl-10-[(5-methyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 103142038
3-ethyl-3,7-dimethyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 103142054
3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
1-[(4-bromophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane-2,5-dione
CID 64881712
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
3-cyclopropyl-7-methyl-1-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 102879830
6-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103141773
3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
CID 103137992
6-cyclopropyl-3,3-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141791

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione (CID 103142051) is 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione is CC1CCC(CN2C(=O)C(C3CC3)NC(=O)CC2C)O1.
What is the InChIKey of 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is DPBBRRVNPPJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-7-13(18)16-14(11-4-5-11)15(19)17(9)8-12-6-3-10(2)20-12/h9-12,14H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione?
3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 103142051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).