(7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol

C15H24N2O2 — CID 89180086

IUPAC(7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol
SMILESC=C/C=C(\C)CCCC(CC(N)C(=C)N=O)C(=C)O
InChIInChI=1S/C15H24N2O2/c1-5-7-11(2)8-6-9-14(13(4)18)10-15(16)12(3)17-19/h5,7,14-15,18H,1,3-4,6,8-10,16H2,2H3/b11-7+
InChIKeyRJWABJVCKXKADR-YRNVUSSQSA-N
MW264.37 g/mol
LogP3.97
Rot. Bonds10

About (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol

(7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol (PubChem CID 89180086) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol.

Molecular Properties

Compound Name(7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol
PubChem CID89180086
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol
SMILESC=C/C=C(\C)CCCC(CC(N)C(=C)N=O)C(=C)O
InChIInChI=1S/C15H24N2O2/c1-5-7-11(2)8-6-9-14(13(4)18)10-15(16)12(3)17-19/h5,7,14-15,18H,1,3-4,6,8-10,16H2,2H3/b11-7+
InChIKeyRJWABJVCKXKADR-YRNVUSSQSA-N
XLogP3.97
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol?
The IUPAC name of (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol (CID 89180086) is (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol.
What is the SMILES notation for (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol?
The canonical SMILES for (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol is C=C/C=C(\C)CCCC(CC(N)C(=C)N=O)C(=C)O.
What is the InChIKey of (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol?
The InChIKey is RJWABJVCKXKADR-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-7-11(2)8-6-9-14(13(4)18)10-15(16)12(3)17-19/h5,7,14-15,18H,1,3-4,6,8-10,16H2,2H3/b11-7+.
What are the key properties of (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol?
(7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol has a molecular weight of 264.37 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3-(2-amino-3-nitrosobut-3-enyl)-7-methyldeca-1,7,9-trien-2-ol is sourced from PubChem (CID 89180086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).