(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine

C10H16FN — CID 171516682

IUPAC(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine
SMILESC=C(/C=C/CF)N1CC[C@H](C)C1
InChIInChI=1S/C10H16FN/c1-9-5-7-12(8-9)10(2)4-3-6-11/h3-4,9H,2,5-8H2,1H3/b4-3+/t9-/m0/s1
InChIKeyCWZWPKRWABROHZ-NWALNABHSA-N
MW169.24 g/mol
LogP2.37
Rot. Bonds3

About (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine

(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine (PubChem CID 171516682) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine
PubChem CID171516682
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine
SMILESC=C(/C=C/CF)N1CC[C@H](C)C1
InChIInChI=1S/C10H16FN/c1-9-5-7-12(8-9)10(2)4-3-6-11/h3-4,9H,2,5-8H2,1H3/b4-3+/t9-/m0/s1
InChIKeyCWZWPKRWABROHZ-NWALNABHSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]-2-methylpyrrolidine
CID 130392713
1-[(3E,5E)-6-fluoroocta-1,3,5-trien-4-yl]-3-methylpyrrolidine
CID 132150725
1-[(3E)-4-fluorohexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142421995
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142422467
1-[(3E)-3-fluoro-4-methylhexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142422627
3-fluoro-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 144746560
1-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-3-yl]pyrrolidine
CID 153557606
1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]pyrrolidine
CID 156099662
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-3-propan-2-ylazetidine
CID 170144255
1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine
CID 142422852
1-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-3-propylpyrrolidine
CID 143075769
1-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]pyrrolidine
CID 145564519

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine?
The IUPAC name of (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine (CID 171516682) is (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine.
What is the SMILES notation for (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine?
The canonical SMILES for (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine is C=C(/C=C/CF)N1CC[C@H](C)C1.
What is the InChIKey of (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine?
The InChIKey is CWZWPKRWABROHZ-NWALNABHSA-N. The full InChI is InChI=1S/C10H16FN/c1-9-5-7-12(8-9)10(2)4-3-6-11/h3-4,9H,2,5-8H2,1H3/b4-3+/t9-/m0/s1.
What are the key properties of (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine?
(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine has a molecular weight of 169.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine is sourced from PubChem (CID 171516682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).