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'}

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Related Compounds

8-(Propan-2-yloxymethyl)-3,5-dihydropyrrolizine
CID 163656566
2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 17884058
2-(Methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole
CID 58778682
(E,2S,3R)-3-(diethylamino)hex-4-en-2-ol
CID 59083595
4-Methoxy-1-methyl-2-prop-1-enylpyrrolidine
CID 59936400
N-ethyl-N-methyl-6-propan-2-yloxycyclohex-2-en-1-amine
CID 89019468
(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine
CID 89276213
2-(Methoxymethyl)-5-methyl-1-propan-2-yl-2,5-dihydropyrrole
CID 89385722
3-Methoxy-1-methyl-2,3,4,7-tetrahydroazepine
CID 118230340
N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine
CID 123179565
6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 139806460
N,N,2,6-tetramethyl-3,6-dihydro-2H-pyran-3-amine
CID 142207967

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).