(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene

C15H23FN2 — CID 155573741

IUPAC(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene
SMILESC=C1C/C=C(F)\C=C/CNCC2(CCNCC2)C1
InChIInChI=1S/C15H23FN2/c1-13-4-5-14(16)3-2-8-18-12-15(11-13)6-9-17-10-7-15/h2-3,5,17-18H,1,4,6-12H2/b3-2-,14-5+
InChIKeyDADDGURYVWXCGH-BNAMBBLCSA-N
MW250.36 g/mol
LogP2.71
Rot. Bonds

About (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene

(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene (PubChem CID 155573741) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene.

Molecular Properties

Compound Name(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene
PubChem CID155573741
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene
SMILESC=C1C/C=C(F)\C=C/CNCC2(CCNCC2)C1
InChIInChI=1S/C15H23FN2/c1-13-4-5-14(16)3-2-8-18-12-15(11-13)6-9-17-10-7-15/h2-3,5,17-18H,1,4,6-12H2/b3-2-,14-5+
InChIKeyDADDGURYVWXCGH-BNAMBBLCSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene?
The IUPAC name of (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene (CID 155573741) is (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene.
What is the SMILES notation for (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene?
The canonical SMILES for (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene is C=C1C/C=C(F)\C=C/CNCC2(CCNCC2)C1.
What is the InChIKey of (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene?
The InChIKey is DADDGURYVWXCGH-BNAMBBLCSA-N. The full InChI is InChI=1S/C15H23FN2/c1-13-4-5-14(16)3-2-8-18-12-15(11-13)6-9-17-10-7-15/h2-3,5,17-18H,1,4,6-12H2/b3-2-,14-5+.
What are the key properties of (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene?
(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene has a molecular weight of 250.36 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene is sourced from PubChem (CID 155573741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).