ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone

C14H29NO2 — CID 143121326

IUPACethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC.CC1CCCN1C(=O)CC1(C)CC1.CO
InChIInChI=1S/C11H19NO.C2H6.CH4O/c1-9-4-3-7-12(9)10(13)8-11(2)5-6-11;2*1-2/h9H,3-8H2,1-2H3;1-2H3;2H,1H3
InChIKeyFWNQCMJZSWWPJW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.82
Rot. Bonds2

About ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone

ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 143121326) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID143121326
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC.CC1CCCN1C(=O)CC1(C)CC1.CO
InChIInChI=1S/C11H19NO.C2H6.CH4O/c1-9-4-3-7-12(9)10(13)8-11(2)5-6-11;2*1-2/h9H,3-8H2,1-2H3;1-2H3;2H,1H3
InChIKeyFWNQCMJZSWWPJW-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone (CID 143121326) is ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone is CC.CC1CCCN1C(=O)CC1(C)CC1.CO.
What is the InChIKey of ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is FWNQCMJZSWWPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C2H6.CH4O/c1-9-4-3-7-12(9)10(13)8-11(2)5-6-11;2*1-2/h9H,3-8H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone?
ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 243.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;2-(1-methylcyclopropyl)-1-(2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 143121326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).