3-(2-ethylhexylidene)pyrrolidine

C12H23N — CID 115824737

IUPAC3-(2-ethylhexylidene)pyrrolidine
SMILESCCCCC(C=C1CCNC1)CC
InChIInChI=1S/C12H23N/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h9,11,13H,3-8,10H2,1-2H3
InChIKeyFDUWWBZYWRHDKI-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-ethylhexylidene)pyrrolidine

3-(2-ethylhexylidene)pyrrolidine (PubChem CID 115824737) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-(2-ethylhexylidene)pyrrolidine.

Molecular Properties

Compound Name3-(2-ethylhexylidene)pyrrolidine
PubChem CID115824737
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-(2-ethylhexylidene)pyrrolidine
SMILESCCCCC(C=C1CCNC1)CC
InChIInChI=1S/C12H23N/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h9,11,13H,3-8,10H2,1-2H3
InChIKeyFDUWWBZYWRHDKI-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexylidenecyclopentane
CID 173229264
3-octylidenepyrrolidine
CID 79879694
(3E)-3-dodecylidenepyrrolidine
CID 134081400
(3E)-3-(2,2-dimethylpentylidene)pyrrolidine
CID 146324332
5-(2-ethylhexylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 4308984
3-ethylhept-1-ene
CID 12923943
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;phosphane
CID 174518467
4-hexylidenepiperidine;hydrochloride
CID 18963728
5-ethylnon-3-ene
CID 91177059
2-cyclopropyl-1-(2-ethylhexyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 107818392

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylidene)pyrrolidine?
The IUPAC name of 3-(2-ethylhexylidene)pyrrolidine (CID 115824737) is 3-(2-ethylhexylidene)pyrrolidine.
What is the SMILES notation for 3-(2-ethylhexylidene)pyrrolidine?
The canonical SMILES for 3-(2-ethylhexylidene)pyrrolidine is CCCCC(C=C1CCNC1)CC.
What is the InChIKey of 3-(2-ethylhexylidene)pyrrolidine?
The InChIKey is FDUWWBZYWRHDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 3-(2-ethylhexylidene)pyrrolidine?
3-(2-ethylhexylidene)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylidene)pyrrolidine is sourced from PubChem (CID 115824737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).