(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine

C8H15NO — CID 167030974

IUPAC(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OC[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-7(2)10-6-8-4-3-5-9-8/h8-9H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyVLRZKMJRZJKSJZ-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds3

About (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine

(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine (PubChem CID 167030974) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine
PubChem CID167030974
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OC[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-7(2)10-6-8-4-3-5-9-8/h8-9H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyVLRZKMJRZJKSJZ-QMMMGPOBSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
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-(prop-1-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine (CID 167030974) is (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine is C=C(C)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The InChIKey is VLRZKMJRZJKSJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)10-6-8-4-3-5-9-8/h8-9H,1,3-6H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 167030974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).