(3E)-3-dodecylidenepyrrolidine

C16H31N — CID 134081400

IUPAC(3E)-3-dodecylidenepyrrolidine
SMILESCCCCCCCCCCC/C=C1\CCNC1
InChIInChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h12,17H,2-11,13-15H2,1H3/b16-12+
InChIKeyCVJLCVLDMAIMIF-FOWTUZBSSA-N
MW237.43 g/mol
LogP4.83
Rot. Bonds10

About (3E)-3-dodecylidenepyrrolidine

(3E)-3-dodecylidenepyrrolidine (PubChem CID 134081400) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (3E)-3-dodecylidenepyrrolidine.

Molecular Properties

Compound Name(3E)-3-dodecylidenepyrrolidine
PubChem CID134081400
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(3E)-3-dodecylidenepyrrolidine
SMILESCCCCCCCCCCC/C=C1\CCNC1
InChIInChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h12,17H,2-11,13-15H2,1H3/b16-12+
InChIKeyCVJLCVLDMAIMIF-FOWTUZBSSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-octylidenepyrrolidine
CID 79879694
4-hexylidenepiperidine;hydrochloride
CID 18963728
(4Z)-4-nonylideneazepane
CID 103983668
(4Z)-4-octylideneazepane
CID 103983605
heptadecylidenecyclopropane
CID 19760704
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
hexylidenecyclobutane
CID 86127710
4-butylidenepiperidine
CID 14966659
3-(2-ethylhexylidene)pyrrolidine
CID 115824737
3-propylidenepiperidine
CID 66869836
pentylidenecyclopentadecane
CID 151655236

Frequently Asked Questions

What is the IUPAC name of (3E)-3-dodecylidenepyrrolidine?
The IUPAC name of (3E)-3-dodecylidenepyrrolidine (CID 134081400) is (3E)-3-dodecylidenepyrrolidine.
What is the SMILES notation for (3E)-3-dodecylidenepyrrolidine?
The canonical SMILES for (3E)-3-dodecylidenepyrrolidine is CCCCCCCCCCC/C=C1\CCNC1.
What is the InChIKey of (3E)-3-dodecylidenepyrrolidine?
The InChIKey is CVJLCVLDMAIMIF-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h12,17H,2-11,13-15H2,1H3/b16-12+.
What are the key properties of (3E)-3-dodecylidenepyrrolidine?
(3E)-3-dodecylidenepyrrolidine has a molecular weight of 237.43 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-dodecylidenepyrrolidine is sourced from PubChem (CID 134081400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).