1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine

C12H23NO — CID 13464679

IUPAC1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine
SMILESC/C=C/C(CC)N1CCCC1COC
InChIInChI=1S/C12H23NO/c1-4-7-11(5-2)13-9-6-8-12(13)10-14-3/h4,7,11-12H,5-6,8-10H2,1-3H3/b7-4+
InChIKeyHIPZJVZLCDAIHX-QPJJXVBHSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds5

About 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine

1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine (PubChem CID 13464679) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine
PubChem CID13464679
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine
SMILESC/C=C/C(CC)N1CCCC1COC
InChIInChI=1S/C12H23NO/c1-4-7-11(5-2)13-9-6-8-12(13)10-14-3/h4,7,11-12H,5-6,8-10H2,1-3H3/b7-4+
InChIKeyHIPZJVZLCDAIHX-QPJJXVBHSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.45
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

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984253
(2R)-2-(methoxymethyl)-1-prop-2-enylpyrrolidine
CID 170390869
tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
CID 14250116
tributyl-[(E)-4-[2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 14250123
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 15727189
2-(Methoxymethyl)-1-prop-2-enylpyrrolidine
CID 91368665
(2S)-2-(methoxymethyl)-1-undec-1-en-4-ylpyrrolidine
CID 101560791
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pent-4-ene-1-selone
CID 176426419

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine (CID 13464679) is 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine is C/C=C/C(CC)N1CCCC1COC.
What is the InChIKey of 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is HIPZJVZLCDAIHX-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-11(5-2)13-9-6-8-12(13)10-14-3/h4,7,11-12H,5-6,8-10H2,1-3H3/b7-4+.
What are the key properties of 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine?
1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-4-en-3-yl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 13464679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).