1-butyl-1,3-diazepan-2-one

C9H18N2O — CID 150099536

IUPAC1-butyl-1,3-diazepan-2-one
SMILESCCCCN1CCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-3-7-11-8-5-4-6-10-9(11)12/h2-8H2,1H3,(H,10,12)
InChIKeyDUYFRNCOVMFIDA-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds3

About 1-butyl-1,3-diazepan-2-one

1-butyl-1,3-diazepan-2-one (PubChem CID 150099536) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-butyl-1,3-diazepan-2-one.

Molecular Properties

Compound Name1-butyl-1,3-diazepan-2-one
PubChem CID150099536
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-butyl-1,3-diazepan-2-one
SMILESCCCCN1CCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-3-7-11-8-5-4-6-10-9(11)12/h2-8H2,1H3,(H,10,12)
InChIKeyDUYFRNCOVMFIDA-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1,3-diazinan-2-one
CID 21479220
1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one
CID 123819213
ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate
CID 115371201
1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
CID 115371185
1-(3-methylheptyl)imidazolidin-2-one
CID 130253756
1,3-dibutylimidazolidin-2-one
CID 20887
methyl-[3-(2-oxo-1,3-diazinan-1-yl)propyl]azanium acetate
CID 135263145
1-[2-(octylamino)ethyl]imidazolidin-2-one
CID 113337199
1-(3,3-diethoxypropyl)-1,3-diazinan-2-one
CID 69224786
methane;1-(2-methylpropyl)-1,3-diazinan-2-one
CID 158406358
1-propyl-1,3-diazepane-2-thione
CID 154491724
1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one
CID 18340100

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3-diazepan-2-one?
The IUPAC name of 1-butyl-1,3-diazepan-2-one (CID 150099536) is 1-butyl-1,3-diazepan-2-one.
What is the SMILES notation for 1-butyl-1,3-diazepan-2-one?
The canonical SMILES for 1-butyl-1,3-diazepan-2-one is CCCCN1CCCCNC1=O.
What is the InChIKey of 1-butyl-1,3-diazepan-2-one?
The InChIKey is DUYFRNCOVMFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-7-11-8-5-4-6-10-9(11)12/h2-8H2,1H3,(H,10,12).
What are the key properties of 1-butyl-1,3-diazepan-2-one?
1-butyl-1,3-diazepan-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3-diazepan-2-one is sourced from PubChem (CID 150099536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).