1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one

C11H19N3O2 — CID 102847763

IUPAC1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C11H19N3O2/c1-12-5-4-8-14(9-10(12)15)11(16)13-6-2-3-7-13/h2-9H2,1H3
InChIKeyUOLVQUCCYOAFAQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.37
Rot. Bonds

About 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one

1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one (PubChem CID 102847763) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
PubChem CID102847763
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C11H19N3O2/c1-12-5-4-8-14(9-10(12)15)11(16)13-6-2-3-7-13/h2-9H2,1H3
InChIKeyUOLVQUCCYOAFAQ-UHFFFAOYSA-N
XLogP0.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)azetidine-3-carboxylic acid
CID 102890968
ethyl 4-methyl-3-oxo-1,4-diazepane-1-carboxylate
CID 102892971
2-[3-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102891329
2-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102891043
1-methyl-4-(3-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107036798
3-(4-methyl-3-oxo-1,4-diazepan-1-yl)-3-oxopropanenitrile
CID 102889015
4-(3-amino-3-methylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888829
4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888896
1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,4-diazepan-2-one
CID 102847813
4-(cyclopentanecarboximidoyl)-1-methyl-1,4-diazepan-2-one
CID 102892860
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286
1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one
CID 102888939

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one (CID 102847763) is 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one is CN1CCCN(C(=O)N2CCCC2)CC1=O.
What is the InChIKey of 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one?
The InChIKey is UOLVQUCCYOAFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12-5-4-8-14(9-10(12)15)11(16)13-6-2-3-7-13/h2-9H2,1H3.
What are the key properties of 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one?
1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 102847763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).