(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine

C14H25NO — CID 89143488

IUPAC(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine
SMILESC=C(OC1CCCC1)[C@@H]1CCCN1C(C)C
InChIInChI=1S/C14H25NO/c1-11(2)15-10-6-9-14(15)12(3)16-13-7-4-5-8-13/h11,13-14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyYMQPSBVJQITTRM-AWEZNQCLSA-N
MW223.36 g/mol
LogP3.33
Rot. Bonds4

About (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine

(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine (PubChem CID 89143488) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine
PubChem CID89143488
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine
SMILESC=C(OC1CCCC1)[C@@H]1CCCN1C(C)C
InChIInChI=1S/C14H25NO/c1-11(2)15-10-6-9-14(15)12(3)16-13-7-4-5-8-13/h11,13-14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyYMQPSBVJQITTRM-AWEZNQCLSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine (CID 89143488) is (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine is C=C(OC1CCCC1)[C@@H]1CCCN1C(C)C.
What is the InChIKey of (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is YMQPSBVJQITTRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)15-10-6-9-14(15)12(3)16-13-7-4-5-8-13/h11,13-14H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine?
(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 89143488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).