(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine

C13H21NO — CID 143578376

IUPAC(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
SMILESC=C=C(OC1CCCC1)[C@@H]1CCCN1C
InChIInChI=1S/C13H21NO/c1-3-13(12-9-6-10-14(12)2)15-11-7-4-5-8-11/h11-12H,1,4-10H2,2H3/t12-/m0/s1
InChIKeyGVCIWLHCLUXZPY-LBPRGKRZSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds3

About (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine

(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine (PubChem CID 143578376) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
PubChem CID143578376
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
SMILESC=C=C(OC1CCCC1)[C@@H]1CCCN1C
InChIInChI=1S/C13H21NO/c1-3-13(12-9-6-10-14(12)2)15-11-7-4-5-8-11/h11-12H,1,4-10H2,2H3/t12-/m0/s1
InChIKeyGVCIWLHCLUXZPY-LBPRGKRZSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine
CID 89143488
3-Methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 118148019
(1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 118148052
2-(1-Ethoxyethenyl)-1-propan-2-ylpyrrolidine
CID 118501499
3-Methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130318502
(2S)-2-(1-cyclopentyloxyethenyl)-1-methylpyrrolidine
CID 143574418
2-(1-Cyclopentyloxyethenyl)-1-methylpyrrolidine
CID 143574565
2-(1-Cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
CID 143652638
2-(1-Cyclopentyloxyethenyl)-1-ethylpyrrolidine
CID 143660411
(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
CID 143664316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine (CID 143578376) is (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine is C=C=C(OC1CCCC1)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine?
The InChIKey is GVCIWLHCLUXZPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-13(12-9-6-10-14(12)2)15-11-7-4-5-8-11/h11-12H,1,4-10H2,2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine?
(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine is sourced from PubChem (CID 143578376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).