5-aminoazepan-2-one;ethane

C8H18N2O — CID 142912069

IUPAC5-aminoazepan-2-one;ethane
SMILESCC.NC1CCNC(=O)CC1
InChIInChI=1S/C6H12N2O.C2H6/c7-5-1-2-6(9)8-4-3-5;1-2/h5H,1-4,7H2,(H,8,9);1-2H3
InChIKeyGWDOGOLZDOHPDG-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds

About 5-aminoazepan-2-one;ethane

5-aminoazepan-2-one;ethane (PubChem CID 142912069) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 5-aminoazepan-2-one;ethane.

Molecular Properties

Compound Name5-aminoazepan-2-one;ethane
PubChem CID142912069
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name5-aminoazepan-2-one;ethane
SMILESCC.NC1CCNC(=O)CC1
InChIInChI=1S/C6H12N2O.C2H6/c7-5-1-2-6(9)8-4-3-5;1-2/h5H,1-4,7H2,(H,8,9);1-2H3
InChIKeyGWDOGOLZDOHPDG-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-aminopiperidin-2-one;hydrochloride
CID 42614518
(5S)-5-methylazepan-2-one
CID 51419001
5-aminopiperidin-2-one;hydrochloride
CID 47002940
8-amino-1,4-diazonane-2,5-dione
CID 20847830
5-(hydroxymethyl)azepan-2-one
CID 75481334
methane;5-methylazepan-2-one
CID 158920172
(7-oxoazepan-4-yl)methanesulfonamide
CID 130621934
5-hydroxyazepan-2-one
CID 14609266
5-sulfanylazepan-2-one
CID 87332653
4-(2,2-dimethylpropyl)piperidin-2-one
CID 76727513
(4R)-4-aminoazepan-2-one
CID 18648126
ethane;(4S)-4-(ethoxymethyl)piperidin-2-one
CID 145338236

Frequently Asked Questions

What is the IUPAC name of 5-aminoazepan-2-one;ethane?
The IUPAC name of 5-aminoazepan-2-one;ethane (CID 142912069) is 5-aminoazepan-2-one;ethane.
What is the SMILES notation for 5-aminoazepan-2-one;ethane?
The canonical SMILES for 5-aminoazepan-2-one;ethane is CC.NC1CCNC(=O)CC1.
What is the InChIKey of 5-aminoazepan-2-one;ethane?
The InChIKey is GWDOGOLZDOHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c7-5-1-2-6(9)8-4-3-5;1-2/h5H,1-4,7H2,(H,8,9);1-2H3.
What are the key properties of 5-aminoazepan-2-one;ethane?
5-aminoazepan-2-one;ethane has a molecular weight of 158.25 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoazepan-2-one;ethane is sourced from PubChem (CID 142912069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).