(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol

C14H22FNO2 — CID 144811357

IUPAC(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol
SMILESC=C(/C=C(\C(=C)F)C(O)CCN1CCCC1)OC
InChIInChI=1S/C14H22FNO2/c1-11(18-3)10-13(12(2)15)14(17)6-9-16-7-4-5-8-16/h10,14,17H,1-2,4-9H2,3H3/b13-10+
InChIKeyHCZKQWJLUWNTLL-JLHYYAGUSA-N
MW255.33 g/mol
LogP2.40
Rot. Bonds7

About (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol

(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol (PubChem CID 144811357) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol.

Molecular Properties

Compound Name(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol
PubChem CID144811357
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol
SMILESC=C(/C=C(\C(=C)F)C(O)CCN1CCCC1)OC
InChIInChI=1S/C14H22FNO2/c1-11(18-3)10-13(12(2)15)14(17)6-9-16-7-4-5-8-16/h10,14,17H,1-2,4-9H2,3H3/b13-10+
InChIKeyHCZKQWJLUWNTLL-JLHYYAGUSA-N
XLogP2.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2-Fluoro-6-methoxycyclohexa-1,3-dien-1-yl)methyl]pyrrolidine
CID 144347603
4-Ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123749955
4-Ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123772804
(1S)-1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 132152326
4-(1-Hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
CID 143615592
3-(4-Methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
CID 143615614
(4E,5Z,7Z)-8-chloro-4-ethylidene-7-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 144840065
2-methyl-1-[(6Z,8E)-10-methylidene-3,5-dihydro-2H-1,4-dioxecin-8-yl]-3-pyrrolidin-1-ylpropan-1-ol
CID 146385742
(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)
CID 153357481

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol?
The IUPAC name of (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol (CID 144811357) is (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol.
What is the SMILES notation for (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol?
The canonical SMILES for (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol is C=C(/C=C(\C(=C)F)C(O)CCN1CCCC1)OC.
What is the InChIKey of (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol?
The InChIKey is HCZKQWJLUWNTLL-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(18-3)10-13(12(2)15)14(17)6-9-16-7-4-5-8-16/h10,14,17H,1-2,4-9H2,3H3/b13-10+.
What are the key properties of (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol?
(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol has a molecular weight of 255.33 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol is sourced from PubChem (CID 144811357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).