7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen

C7H18N2O — CID 143599230

IUPAC7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
SMILESCC1(C)CCNCC(=O)N1.[H][H].[H][H]
InChIInChI=1S/C7H14N2O.2H2/c1-7(2)3-4-8-5-6(10)9-7;;/h8H,3-5H2,1-2H3,(H,9,10);2*1H
InChIKeyVLTLQPIHVAKMRX-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.37
Rot. Bonds

About 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen

7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen (PubChem CID 143599230) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen.

Molecular Properties

Compound Name7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
PubChem CID143599230
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
SMILESCC1(C)CCNCC(=O)N1.[H][H].[H][H]
InChIInChI=1S/C7H14N2O.2H2/c1-7(2)3-4-8-5-6(10)9-7;;/h8H,3-5H2,1-2H3,(H,9,10);2*1H
InChIKeyVLTLQPIHVAKMRX-UHFFFAOYSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 142838898
1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 66741717
5,5-dimethylazepan-3-one
CID 82594303
5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
CID 91618831
piperazin-2-one;propane
CID 143025708
1,4,9-triazaspiro[4.5]decan-3-one
CID 67172447
(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 134828274
1,4,8,11-tetrazacyclotetradecane-2,10-dione
CID 10944213
aziridin-2-one
CID 158991665
3,9-diazaspiro[5.5]undecane-2,5-dione
CID 59929903

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen?
The IUPAC name of 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen (CID 143599230) is 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen.
What is the SMILES notation for 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen?
The canonical SMILES for 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen is CC1(C)CCNCC(=O)N1.[H][H].[H][H].
What is the InChIKey of 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen?
The InChIKey is VLTLQPIHVAKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2H2/c1-7(2)3-4-8-5-6(10)9-7;;/h8H,3-5H2,1-2H3,(H,9,10);2*1H.
What are the key properties of 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen?
7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen has a molecular weight of 146.23 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen is sourced from PubChem (CID 143599230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).