(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine

C14H25FN2O — CID 129313637

IUPAC(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
SMILESC/C=C(\C=C/CN1CCCC1)C(OC)C(N)CF
InChIInChI=1S/C14H25FN2O/c1-3-12(14(18-2)13(16)11-15)7-6-10-17-8-4-5-9-17/h3,6-7,13-14H,4-5,8-11,16H2,1-2H3/b7-6-,12-3+
InChIKeyOTMYEVFZSGRDEW-UWONXNGWSA-N
MW256.37 g/mol
LogP1.90
Rot. Bonds7

About (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine

(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine (PubChem CID 129313637) has the molecular formula C14H25FN2O and a molecular weight of 256.37 g/mol. Its IUPAC name is (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
PubChem CID129313637
Molecular FormulaC14H25FN2O
Molecular Weight256.37 g/mol
Exact Mass256.20
IUPAC Name(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
SMILESC/C=C(\C=C/CN1CCCC1)C(OC)C(N)CF
InChIInChI=1S/C14H25FN2O/c1-3-12(14(18-2)13(16)11-15)7-6-10-17-8-4-5-9-17/h3,6-7,13-14H,4-5,8-11,16H2,1-2H3/b7-6-,12-3+
InChIKeyOTMYEVFZSGRDEW-UWONXNGWSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
The IUPAC name of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine (CID 129313637) is (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine.
What is the SMILES notation for (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
The canonical SMILES for (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine is C/C=C(\C=C/CN1CCCC1)C(OC)C(N)CF.
What is the InChIKey of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
The InChIKey is OTMYEVFZSGRDEW-UWONXNGWSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-3-12(14(18-2)13(16)11-15)7-6-10-17-8-4-5-9-17/h3,6-7,13-14H,4-5,8-11,16H2,1-2H3/b7-6-,12-3+.
What are the key properties of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine is sourced from PubChem (CID 129313637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).