2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine

C13H20FN — CID 144984207

IUPAC2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine
SMILESC=C(F)/C=C\C(=C)C(C)CC1CCCN1
InChIInChI=1S/C13H20FN/c1-10(6-7-12(3)14)11(2)9-13-5-4-8-15-13/h6-7,11,13,15H,1,3-5,8-9H2,2H3/b7-6-
InChIKeyCWZBMUBLILGYMH-SREVYHEPSA-N
MW209.31 g/mol
LogP3.36
Rot. Bonds5

About 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine

2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine (PubChem CID 144984207) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine
PubChem CID144984207
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine
SMILESC=C(F)/C=C\C(=C)C(C)CC1CCCN1
InChIInChI=1S/C13H20FN/c1-10(6-7-12(3)14)11(2)9-13-5-4-8-15-13/h6-7,11,13,15H,1,3-5,8-9H2,2H3/b7-6-
InChIKeyCWZBMUBLILGYMH-SREVYHEPSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
CID 142059557
propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
CID 106599450
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine?
The IUPAC name of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine (CID 144984207) is 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine.
What is the SMILES notation for 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine?
The canonical SMILES for 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine is C=C(F)/C=C\C(=C)C(C)CC1CCCN1.
What is the InChIKey of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine?
The InChIKey is CWZBMUBLILGYMH-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20FN/c1-10(6-7-12(3)14)11(2)9-13-5-4-8-15-13/h6-7,11,13,15H,1,3-5,8-9H2,2H3/b7-6-.
What are the key properties of 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine?
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine has a molecular weight of 209.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine is sourced from PubChem (CID 144984207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).