ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole

C10H21NO — CID 177009705

IUPACethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole
SMILESCC.CO[C@@H](C)C1C=CCN1C
InChIInChI=1S/C8H15NO.C2H6/c1-7(10-3)8-5-4-6-9(8)2;1-2/h4-5,7-8H,6H2,1-3H3;1-2H3/t7-,8?;/m0./s1
InChIKeyNEDMOPXLTPXMQO-JPPWUZRISA-N
MW171.28 g/mol
LogP1.92
Rot. Bonds2

About ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole

ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole (PubChem CID 177009705) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Nameethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole
PubChem CID177009705
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole
SMILESCC.CO[C@@H](C)C1C=CCN1C
InChIInChI=1S/C8H15NO.C2H6/c1-7(10-3)8-5-4-6-9(8)2;1-2/h4-5,7-8H,6H2,1-3H3;1-2H3/t7-,8?;/m0./s1
InChIKeyNEDMOPXLTPXMQO-JPPWUZRISA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
The IUPAC name of ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole (CID 177009705) is ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole is CC.CO[C@@H](C)C1C=CCN1C.
What is the InChIKey of ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
The InChIKey is NEDMOPXLTPXMQO-JPPWUZRISA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-7(10-3)8-5-4-6-9(8)2;1-2/h4-5,7-8H,6H2,1-3H3;1-2H3/t7-,8?;/m0./s1.
What are the key properties of ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole has a molecular weight of 171.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 177009705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).