ethane;1-(2-methylazepan-1-yl)ethanone

C11H23NO — CID 143677776

IUPACethane;1-(2-methylazepan-1-yl)ethanone
SMILESCC.CC(=O)N1CCCCCC1C
InChIInChI=1S/C9H17NO.C2H6/c1-8-6-4-3-5-7-10(8)9(2)11;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyYISTXMUSPYRXTR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.82
Rot. Bonds

About ethane;1-(2-methylazepan-1-yl)ethanone

ethane;1-(2-methylazepan-1-yl)ethanone (PubChem CID 143677776) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;1-(2-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-methylazepan-1-yl)ethanone
PubChem CID143677776
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;1-(2-methylazepan-1-yl)ethanone
SMILESCC.CC(=O)N1CCCCCC1C
InChIInChI=1S/C9H17NO.C2H6/c1-8-6-4-3-5-7-10(8)9(2)11;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyYISTXMUSPYRXTR-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylazepan-1-yl)ethanone?
The IUPAC name of ethane;1-(2-methylazepan-1-yl)ethanone (CID 143677776) is ethane;1-(2-methylazepan-1-yl)ethanone.
What is the SMILES notation for ethane;1-(2-methylazepan-1-yl)ethanone?
The canonical SMILES for ethane;1-(2-methylazepan-1-yl)ethanone is CC.CC(=O)N1CCCCCC1C.
What is the InChIKey of ethane;1-(2-methylazepan-1-yl)ethanone?
The InChIKey is YISTXMUSPYRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8-6-4-3-5-7-10(8)9(2)11;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylazepan-1-yl)ethanone?
ethane;1-(2-methylazepan-1-yl)ethanone has a molecular weight of 185.31 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylazepan-1-yl)ethanone is sourced from PubChem (CID 143677776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).