1-[1-(dimethylamino)cyclopropyl]ethanone;ethane

C9H19NO — CID 176559162

IUPAC1-[1-(dimethylamino)cyclopropyl]ethanone;ethane
SMILESCC.CC(=O)C1(N(C)C)CC1
InChIInChI=1S/C7H13NO.C2H6/c1-6(9)7(4-5-7)8(2)3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyDBUIZNYTNUJKOG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds2

About 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane

1-[1-(dimethylamino)cyclopropyl]ethanone;ethane (PubChem CID 176559162) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopropyl]ethanone;ethane
PubChem CID176559162
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-[1-(dimethylamino)cyclopropyl]ethanone;ethane
SMILESCC.CC(=O)C1(N(C)C)CC1
InChIInChI=1S/C7H13NO.C2H6/c1-6(9)7(4-5-7)8(2)3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyDBUIZNYTNUJKOG-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane?
The IUPAC name of 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane (CID 176559162) is 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane?
The canonical SMILES for 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane is CC.CC(=O)C1(N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane?
The InChIKey is DBUIZNYTNUJKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-6(9)7(4-5-7)8(2)3;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane?
1-[1-(dimethylamino)cyclopropyl]ethanone;ethane has a molecular weight of 157.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopropyl]ethanone;ethane is sourced from PubChem (CID 176559162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).