ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one

C11H21NO — CID 143492078

IUPACethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one
SMILESCC.CC1=C(C)C(=O)N(C)CCC1
InChIInChI=1S/C9H15NO.C2H6/c1-7-5-4-6-10(3)9(11)8(7)2;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyBLTRTPLOWBFBOU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds

About ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one

ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one (PubChem CID 143492078) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one.

Molecular Properties

Compound Nameethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one
PubChem CID143492078
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one
SMILESCC.CC1=C(C)C(=O)N(C)CCC1
InChIInChI=1S/C9H15NO.C2H6/c1-7-5-4-6-10(3)9(11)8(7)2;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyBLTRTPLOWBFBOU-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,5-Trimethyl-2,3-dihydropyridin-6-one
CID 15981614
a-Geranylpiperidine
CID 129763847
(E)-N,N,2-triethylhept-2-enamide
CID 102303653
N,N,3-triethyl-2-methylpent-2-enamide
CID 102303654
2-cyclohexylidene-N,N-diethylpropanamide
CID 102303656
(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
CID 102303658
1-butyl-5,6-ditert-butyl-3,4-dihydro-2H-azepin-7-one
CID 20871979
(Z)-N',N',2,3-tetrapropylbut-2-enediamide
CID 21097549
1-butyl-6-methyl-3,4-dihydro-2H-azepin-7-one
CID 23382665
4,5-Ditert-butyl-1-methyl-2,3-dihydropyridin-6-one
CID 23398291
5,6-ditert-butyl-1-propyl-3,4-dihydro-2H-azepin-7-one
CID 23552364
5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-azepin-7-one
CID 23592087

Frequently Asked Questions

What is the IUPAC name of ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one?
The IUPAC name of ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one (CID 143492078) is ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one.
What is the SMILES notation for ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one?
The canonical SMILES for ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one is CC.CC1=C(C)C(=O)N(C)CCC1.
What is the InChIKey of ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one?
The InChIKey is BLTRTPLOWBFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-7-5-4-6-10(3)9(11)8(7)2;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one?
ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one has a molecular weight of 183.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one is sourced from PubChem (CID 143492078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).