3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one

C9H16N2O2 — CID 115102162

IUPAC3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
SMILESCC(=O)CN1CCCNC(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-7(12)6-11-5-3-4-10-8(2)9(11)13/h8,10H,3-6H2,1-2H3
InChIKeyFDSYOQMMWDHGCN-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.21
Rot. Bonds2

About 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one

3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one (PubChem CID 115102162) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
PubChem CID115102162
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
SMILESCC(=O)CN1CCCNC(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-7(12)6-11-5-3-4-10-8(2)9(11)13/h8,10H,3-6H2,1-2H3
InChIKeyFDSYOQMMWDHGCN-UHFFFAOYSA-N
XLogP-0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258995
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221
N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258592
N-(2-cyanoethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 55169562
2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide
CID 63258784
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
CID 63258997
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
N-cyclohexyl-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63608173
3-methyl-1-(pyrrolidin-3-ylmethyl)-1,4-diazepan-2-one
CID 115102005
1-[(4-ethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258827

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one?
The IUPAC name of 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one (CID 115102162) is 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one.
What is the SMILES notation for 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one?
The canonical SMILES for 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one is CC(=O)CN1CCCNC(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one?
The InChIKey is FDSYOQMMWDHGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)6-11-5-3-4-10-8(2)9(11)13/h8,10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one?
3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one is sourced from PubChem (CID 115102162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).