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

C9H19NO — CID 177009492

IUPACmethane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole
SMILESC.CO[C@@H](C)[C@@H]1C=CCN1C
InChIInChI=1S/C8H15NO.CH4/c1-7(10-3)8-5-4-6-9(8)2;/h4-5,7-8H,6H2,1-3H3;1H4/t7-,8-;/m0./s1
InChIKeyHVCNWSKZKSZMLW-WSZWBAFRSA-N
MW157.26 g/mol
LogP1.53
Rot. Bonds2

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

methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole (PubChem CID 177009492) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Namemethane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole
PubChem CID177009492
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namemethane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole
SMILESC.CO[C@@H](C)[C@@H]1C=CCN1C
InChIInChI=1S/C8H15NO.CH4/c1-7(10-3)8-5-4-6-9(8)2;/h4-5,7-8H,6H2,1-3H3;1H4/t7-,8-;/m0./s1
InChIKeyHVCNWSKZKSZMLW-WSZWBAFRSA-N
XLogP1.53
TPSA12.47 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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
The IUPAC name of methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole (CID 177009492) is methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole is C.CO[C@@H](C)[C@@H]1C=CCN1C.
What is the InChIKey of methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
The InChIKey is HVCNWSKZKSZMLW-WSZWBAFRSA-N. The full InChI is InChI=1S/C8H15NO.CH4/c1-7(10-3)8-5-4-6-9(8)2;/h4-5,7-8H,6H2,1-3H3;1H4/t7-,8-;/m0./s1.
What are the key properties of methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole?
methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole has a molecular weight of 157.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-2-[(1S)-1-methoxyethyl]-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 177009492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).