(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine

C14H25NO — CID 175622342

IUPAC(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine
SMILESC/C=C1\CCC(CC2CCC(C(C)C)O2)N1
InChIInChI=1S/C14H25NO/c1-4-11-5-6-12(15-11)9-13-7-8-14(16-13)10(2)3/h4,10,12-15H,5-9H2,1-3H3/b11-4+
InChIKeyCCWNUWVEJLDOIQ-NYYWCZLTSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds3

About (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine

(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine (PubChem CID 175622342) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine
PubChem CID175622342
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine
SMILESC/C=C1\CCC(CC2CCC(C(C)C)O2)N1
InChIInChI=1S/C14H25NO/c1-4-11-5-6-12(15-11)9-13-7-8-14(16-13)10(2)3/h4,10,12-15H,5-9H2,1-3H3/b11-4+
InChIKeyCCWNUWVEJLDOIQ-NYYWCZLTSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine?
The IUPAC name of (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine (CID 175622342) is (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine.
What is the SMILES notation for (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine?
The canonical SMILES for (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine is C/C=C1\CCC(CC2CCC(C(C)C)O2)N1.
What is the InChIKey of (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine?
The InChIKey is CCWNUWVEJLDOIQ-NYYWCZLTSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-11-5-6-12(15-11)9-13-7-8-14(16-13)10(2)3/h4,10,12-15H,5-9H2,1-3H3/b11-4+.
What are the key properties of (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine?
(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 175622342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).