ethane;methanol;3-methylpyrrolidine

C8H21NO — CID 143573656

IUPACethane;methanol;3-methylpyrrolidine
SMILESCC.CC1CCNC1.CO
InChIInChI=1S/C5H11N.C2H6.CH4O/c1-5-2-3-6-4-5;2*1-2/h5-6H,2-4H2,1H3;1-2H3;2H,1H3
InChIKeyFPXNATNMKVSSJO-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.25
Rot. Bonds

About ethane;methanol;3-methylpyrrolidine

ethane;methanol;3-methylpyrrolidine (PubChem CID 143573656) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is ethane;methanol;3-methylpyrrolidine.

Molecular Properties

Compound Nameethane;methanol;3-methylpyrrolidine
PubChem CID143573656
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Nameethane;methanol;3-methylpyrrolidine
SMILESCC.CC1CCNC1.CO
InChIInChI=1S/C5H11N.C2H6.CH4O/c1-5-2-3-6-4-5;2*1-2/h5-6H,2-4H2,1H3;1-2H3;2H,1H3
InChIKeyFPXNATNMKVSSJO-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpyrrolidine;phosphinous acid
CID 142914115
methanethiol;3-methylpyrrolidine;dihydrate
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ethane;(3S)-3-methylpiperidine
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formamide;3-methylpyrrolidine
CID 143474557
ethane;2-methoxy-2-methylpropane;3-methylpyrrolidine;hydrate
CID 145463326
ethane;3-methylpiperidine;hydrate
CID 142361877
1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
CID 143539499
3-methylazepane
CID 14291801
methanamine;3-methylpiperidine
CID 178081150
3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide
CID 144537745
cyclopentane;4-methylpiperidine
CID 143138909
ethene;4-methylpiperidine
CID 143316942

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;3-methylpyrrolidine?
The IUPAC name of ethane;methanol;3-methylpyrrolidine (CID 143573656) is ethane;methanol;3-methylpyrrolidine.
What is the SMILES notation for ethane;methanol;3-methylpyrrolidine?
The canonical SMILES for ethane;methanol;3-methylpyrrolidine is CC.CC1CCNC1.CO.
What is the InChIKey of ethane;methanol;3-methylpyrrolidine?
The InChIKey is FPXNATNMKVSSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H6.CH4O/c1-5-2-3-6-4-5;2*1-2/h5-6H,2-4H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;3-methylpyrrolidine?
ethane;methanol;3-methylpyrrolidine has a molecular weight of 147.26 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;3-methylpyrrolidine is sourced from PubChem (CID 143573656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).