(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol

C12H21NO2 — CID 10921786

IUPAC(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol
SMILESC=C(/C(C)=C/CO)N1CCC[C@H]1COC
InChIInChI=1S/C12H21NO2/c1-10(6-8-14)11(2)13-7-4-5-12(13)9-15-3/h6,12,14H,2,4-5,7-9H2,1,3H3/b10-6+/t12-/m0/s1
InChIKeyRILDLJZHOGZYTO-JXPAYYINSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds5

About (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol

(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol (PubChem CID 10921786) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol
PubChem CID10921786
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol
SMILESC=C(/C(C)=C/CO)N1CCC[C@H]1COC
InChIInChI=1S/C12H21NO2/c1-10(6-8-14)11(2)13-7-4-5-12(13)9-15-3/h6,12,14H,2,4-5,7-9H2,1,3H3/b10-6+/t12-/m0/s1
InChIKeyRILDLJZHOGZYTO-JXPAYYINSA-N
XLogP1.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methoxymethyl)-1-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 10911229
[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane
CID 10957001
2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
CID 153334066
(2S)-2-(methoxymethyl)-1-[(3Z)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 101709446

Frequently Asked Questions

What is the IUPAC name of (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol?
The IUPAC name of (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol (CID 10921786) is (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol is C=C(/C(C)=C/CO)N1CCC[C@H]1COC.
What is the InChIKey of (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol?
The InChIKey is RILDLJZHOGZYTO-JXPAYYINSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(6-8-14)11(2)13-7-4-5-12(13)9-15-3/h6,12,14H,2,4-5,7-9H2,1,3H3/b10-6+/t12-/m0/s1.
What are the key properties of (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol?
(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol has a molecular weight of 211.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol is sourced from PubChem (CID 10921786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).