(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine

C10H19NO — CID 141373569

IUPAC(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
SMILESC=C[C@H](C)[C@@H](OC)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO/c1-4-8(2)10(12-3)9-6-5-7-11-9/h4,8-11H,1,5-7H2,2-3H3/t8-,9-,10+/m0/s1
InChIKeyLWCMCZJUAPTYEG-LPEHRKFASA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine

(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine (PubChem CID 141373569) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
PubChem CID141373569
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
SMILESC=C[C@H](C)[C@@H](OC)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO/c1-4-8(2)10(12-3)9-6-5-7-11-9/h4,8-11H,1,5-7H2,2-3H3/t8-,9-,10+/m0/s1
InChIKeyLWCMCZJUAPTYEG-LPEHRKFASA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methoxy-2-methylbut-3-enyl)pyrrolidine
CID 123194034
2-Methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 123387367
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
1-[(2S)-4-ethenylpyrrolidin-2-yl]propan-1-ol
CID 144046776
2-[(1R,2S)-2-ethenyl-1-methoxy-3-methylbut-3-enyl]pyrrolidine
CID 163459687
(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane
CID 163655261
2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine
CID 167496658
(4S)-4-ethenyl-2-(methoxymethyl)pyrrolidine
CID 169577866
2-Propan-2-yl-5-(1-propan-2-yloxyethenyl)pyrrolidine
CID 169835769
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine
CID 62065960
N-[(2-methyloxolan-2-yl)methyl]hex-5-en-2-amine
CID 104582953
1-(3-methyloxolan-2-yl)-N-propylhex-5-en-1-amine
CID 104986834

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine?
The IUPAC name of (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine (CID 141373569) is (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine is C=C[C@H](C)[C@@H](OC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine?
The InChIKey is LWCMCZJUAPTYEG-LPEHRKFASA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)10(12-3)9-6-5-7-11-9/h4,8-11H,1,5-7H2,2-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine?
(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine is sourced from PubChem (CID 141373569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).