3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione

C12H20N2O2 — CID 64882100

IUPAC3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
SMILESCCCN1C(=O)C(C2CC2)NC(=O)CC1C
InChIInChI=1S/C12H20N2O2/c1-3-6-14-8(2)7-10(15)13-11(12(14)16)9-4-5-9/h8-9,11H,3-7H2,1-2H3,(H,13,15)
InChIKeyMADROFUEXSLKHR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds3

About 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione

3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione (PubChem CID 64882100) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
PubChem CID64882100
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
SMILESCCCN1C(=O)C(C2CC2)NC(=O)CC1C
InChIInChI=1S/C12H20N2O2/c1-3-6-14-8(2)7-10(15)13-11(12(14)16)9-4-5-9/h8-9,11H,3-7H2,1-2H3,(H,13,15)
InChIKeyMADROFUEXSLKHR-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 103142051
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 114013090
1-[(4-bromophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane-2,5-dione
CID 64881712
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64882753
3-cyclopropyl-7-methyl-1-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 102879830
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
CID 64883443

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione (CID 64882100) is 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione is CCCN1C(=O)C(C2CC2)NC(=O)CC1C.
What is the InChIKey of 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione?
The InChIKey is MADROFUEXSLKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-6-14-8(2)7-10(15)13-11(12(14)16)9-4-5-9/h8-9,11H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione?
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).