2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine

C13H21NO — CID 153334066

IUPAC2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(C)/C=C\C(=C)N1CCCC1COC
InChIInChI=1S/C13H21NO/c1-11(2)7-8-12(3)14-9-5-6-13(14)10-15-4/h7-8,13H,1,3,5-6,9-10H2,2,4H3/b8-7-
InChIKeyDXTIUWOQHJJBEN-FPLPWBNLSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds5

About 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine

2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine (PubChem CID 153334066) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
PubChem CID153334066
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(C)/C=C\C(=C)N1CCCC1COC
InChIInChI=1S/C13H21NO/c1-11(2)7-8-12(3)14-9-5-6-13(14)10-15-4/h7-8,13H,1,3,5-6,9-10H2,2,4H3/b8-7-
InChIKeyDXTIUWOQHJJBEN-FPLPWBNLSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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
tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
(2S)-2-(methoxymethyl)-1-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 10911229
(2S)-2-(methoxymethyl)-1-(3-methylbuta-1,3-dien-2-yl)pyrrolidine
CID 11745254
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
Lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 134976056
(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
CID 135085876
Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 12062258

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine (CID 153334066) is 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine is C=C(C)/C=C\C(=C)N1CCCC1COC.
What is the InChIKey of 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine?
The InChIKey is DXTIUWOQHJJBEN-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)7-8-12(3)14-9-5-6-13(14)10-15-4/h7-8,13H,1,3,5-6,9-10H2,2,4H3/b8-7-.
What are the key properties of 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine?
2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine is sourced from PubChem (CID 153334066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).