(3S)-3-ethyl-1,4-diazepan-2-one

C7H14N2O — CID 92784972

IUPAC(3S)-3-ethyl-1,4-diazepan-2-one
SMILESCC[C@@H]1NCCCNC1=O
InChIInChI=1S/C7H14N2O/c1-2-6-7(10)9-5-3-4-8-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeySGCXXMVKFMVWMF-LURJTMIESA-N
MW142.20 g/mol
LogP-0.13
Rot. Bonds1

About (3S)-3-ethyl-1,4-diazepan-2-one

(3S)-3-ethyl-1,4-diazepan-2-one (PubChem CID 92784972) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S)-3-ethyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-1,4-diazepan-2-one
PubChem CID92784972
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3S)-3-ethyl-1,4-diazepan-2-one
SMILESCC[C@@H]1NCCCNC1=O
InChIInChI=1S/C7H14N2O/c1-2-6-7(10)9-5-3-4-8-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeySGCXXMVKFMVWMF-LURJTMIESA-N
XLogP-0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1,4-diazepan-2-one?
The IUPAC name of (3S)-3-ethyl-1,4-diazepan-2-one (CID 92784972) is (3S)-3-ethyl-1,4-diazepan-2-one.
What is the SMILES notation for (3S)-3-ethyl-1,4-diazepan-2-one?
The canonical SMILES for (3S)-3-ethyl-1,4-diazepan-2-one is CC[C@@H]1NCCCNC1=O.
What is the InChIKey of (3S)-3-ethyl-1,4-diazepan-2-one?
The InChIKey is SGCXXMVKFMVWMF-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-6-7(10)9-5-3-4-8-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (3S)-3-ethyl-1,4-diazepan-2-one?
(3S)-3-ethyl-1,4-diazepan-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1,4-diazepan-2-one is sourced from PubChem (CID 92784972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).