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

C14H24N2O2 — CID 114013090

IUPAC3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
SMILESCCCC(C)N1C(=O)C(C2CC2)NC(=O)CC1C
InChIInChI=1S/C14H24N2O2/c1-4-5-9(2)16-10(3)8-12(17)15-13(14(16)18)11-6-7-11/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyUMCRFGIIIFSBLM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds4

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

3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 114013090) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
PubChem CID114013090
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
SMILESCCCC(C)N1C(=O)C(C2CC2)NC(=O)CC1C
InChIInChI=1S/C14H24N2O2/c1-4-5-9(2)16-10(3)8-12(17)15-13(14(16)18)11-6-7-11/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyUMCRFGIIIFSBLM-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957333
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884024
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 64957202
6-cyclopropyl-3-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888826
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991
1-(4-methoxybutan-2-yl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 116500153
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione (CID 114013090) is 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione is CCCC(C)N1C(=O)C(C2CC2)NC(=O)CC1C.
What is the InChIKey of 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is UMCRFGIIIFSBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-9(2)16-10(3)8-12(17)15-13(14(16)18)11-6-7-11/h9-11,13H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 4 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-pentan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 114013090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).